[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[benzyl(methyl)carbamoyl]benzoate CAS Name: 2-[[methyl-(phenylmethyl)amino]-oxomethyl]benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate Traditional Name: 2-[benzyl(methyl)carbamoyl]benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC=CC=C3C(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC=CC=C3C(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c1-18-15-24(19(2)29(18)21-13-14-21)25(30)17-33-27(32)23-12-8-7-11-22(23)26(31)28(3)16-20-9-5-4-6-10-20/h4-12,15,21H,13-14,16-17H2,1-3H3