AI36679
14976-57-9 | (2E)-but-2-enedioic acid; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AI36679
ChemicalName
(2E)-but-2-enedioic acid; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine
CasNumber
14976-57-9
MolecularFormula
C25H30ClNO5
MolecularWeight
459.9624
MdlNumber
MFCD00137486
Smiles
Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C.OC(=O)/C=C/C(=O)O
NscNumber
756685
Complexity
495
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
8
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CatalogNumber: AI36679
ChemicalName: (2E)-but-2-enedioic acid; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine
CasNumber: 14976-57-9
MolecularFormula: C25H30ClNO5
MolecularWeight: 459.9624
MdlNumber: MFCD00137486
Smiles: Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C.OC(=O)/C=C/C(=O)O
NscNumber: 756685
Complexity: 495
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 8
CatalogNumber:
AI36679
ChemicalName:
(2E)-but-2-enedioic acid; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine
CasNumber:
14976-57-9
MolecularFormula:
C25H30ClNO5
MolecularWeight:
459.9624
MdlNumber:
MFCD00137486
Smiles:
Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C.OC(=O)/C=C/C(=O)O
NscNumber:
756685
Complexity:
495
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
8
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Smiles: CSc1ncc(c(n1)c1ccccc1)C(=O)O
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Smiles:
CSc1ncc(c(n1)c1ccccc1)C(=O)O
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Complexity:
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Smiles: O=C1OCC2(N1)CCOCC2
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Complexity: 175
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Smiles:
O=C1OCC2(N1)CCOCC2
NscNumber:
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Complexity:
175
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: NCc1ccc(cc1)c1ccccn1.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
NCc1ccc(cc1)c1ccccn1.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__