HIT ID: HIT218849570
Cas No: 92071-51-7
分子式: C17H23NO3
分子量: 289.375
常用名: Rotraxate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-{4-[(1r,4r)-4-(aminomethyl)cyclohexanecarbonyl]phenyl}propanoic acid
IUPAC: 3-{4-[(1r,4r)-4-(aminomethyl)cyclohexanecarbonyl]phenyl}propanoic acid
SMILES: NC[C@H]1CC[C@@H](CC1)C(=O)c1ccc(CCC(O)=O)cc1
SMILES: NC[C@H]1CC[C@@H](CC1)C(=O)c1ccc(CCC(O)=O)cc1
InChI key: NVBZUCIQNYPGCI-CTYIDZIISA-N