HIT ID: HIT212655908
Cas No: 104713-75-9
分子式: C27H29N3O6
分子量: 491.544
常用名: Barnidipine
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 3.5068138
IUPAC: 3-(3S)-1-benzylpyrrolidin-3-yl 5-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC: 3-(3S)-1-benzylpyrrolidin-3-yl 5-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES: COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 |c:4,9|
SMILES: COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 |c:4,9|
InChI key: VXMOONUMYLCFJD-DHLKQENFSA-N
