HIT ID: HIT212037672
Cas No: 53164-05-9
分子式: C21H18ClNO6
分子量: 415.83
常用名: Acemetacin
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 1.56
IUPAC: 2-({2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)acetic acid
IUPAC: 2-({2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)acetic acid
SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1
SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1
InChI key: FSQKKOOTNAMONP-UHFFFAOYSA-N
