HIT ID: HIT219158728
Cas No: 155156-22-2
分子式: C22H28ClNO7
分子量: 453.92
常用名: SM21 R-isomer maleate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-2-(4-chlorophenoxy)butanoate; (2Z)-but-2-enedioic acid
IUPAC: (1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-2-(4-chlorophenoxy)butanoate; (2Z)-but-2-enedioic acid
SMILES: OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)[C@@H](CC)Oc1ccc(Cl)cc1)N2C
SMILES: OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)[C@@H](CC)Oc1ccc(Cl)cc1)N2C
InChI key: BHXGTFUQDGMXHA-UOLMGAEGSA-N
