[2-acetyloxy-4-[1-oxidanyl-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-acetyloxy-4-[1-oxidanyl-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]phenyl] 4-methylbenzoate Openeye Name: [2-acetoxy-4-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-acetyloxy-4-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-acetoxy-4-[1-hydroxy-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]phenyl] ester Formula: C30H31N3O6 MolecularWeight: 529.58364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CN3CCC(CC3)N4C5=CC=CC=C5NC4=O)O)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CN3CCC(CC3)N4C5=CC=CC=C5NC4=O)O)OC(=O)C

InChI

InChI=1S/C30H31N3O6/c1-19-7-9-21(10-8-19)29(36)39-27-12-11-22(17-28(27)38-20(2)34)26(35)18-32-15-13-23(14-16-32)33-25-6-4-3-5-24(25)31-30(33)37/h3-12,17,23,26,35H,13-16,18H2,1-2H3,(H,31,37)