methyl 4-[[2-(aminomethyl)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-(4-methoxycarbonylphenyl)carbonyl-carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(aminomethyl)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-(4-methoxycarbonylphenyl)carbonyl-carbamoyl]benzoate Openeye Name: methyl 4-[[2-(aminomethyl)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]-(4-methoxycarbonylbenzoyl)carbamoyl]benzoate CAS Name: 4-[[[2-(aminomethyl)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-[(4-methoxycarbonylphenyl)-oxomethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(aminomethyl)-4,4-dimethyl-6-oxocyclohexen-1-yl]-(4-methoxycarbonylbenzoyl)carbamoyl]benzoate Traditional Name: 4-[[2-(aminomethyl)-6-keto-4,4-dimethyl-cyclohexen-1-yl]-(4-carbomethoxybenzoyl)carbamoyl]benzoic acid methyl ester Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)N(C(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)C(=O)OC)CN)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)N(C(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)C(=O)OC)CN)C

InChI

InChI=1S/C27H28N2O7/c1-27(2)13-20(15-28)22(21(30)14-27)29(23(31)16-5-9-18(10-6-16)25(33)35-3)24(32)17-7-11-19(12-8-17)26(34)36-4/h5-12H,13-15,28H2,1-4H3