[4-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]cyclohexyl] benzoate

Systemtic Name: [4-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]cyclohexyl] benzoate Openeye Name: [4-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-anilino]cyclohexyl] benzoate CAS Name: benzoic acid [4-[2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-nitroanilino]cyclohexyl] ester IUPAC Name: [4-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitroanilino]cyclohexyl] benzoate Traditional Name: benzoic acid [4-[4-nitro-2-(veratrylcarbamoyl)anilino]cyclohexyl] ester Formula: C29H31N3O7 MolecularWeight: 533.57234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C29H31N3O7/c1-37-26-15-8-19(16-27(26)38-2)18-30-28(33)24-17-22(32(35)36)11-14-25(24)31-21-9-12-23(13-10-21)39-29(34)20-6-4-3-5-7-20/h3-8,11,14-17,21,23,31H,9-10,12-13,18H2,1-2H3,(H,30,33)