[2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[2-(m-tolylcarbamoyl)anilino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[2-[(3-methylanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-keto-2-[2-(m-tolylcarbamoyl)anilino]ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=CN3C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=CN3C

InChI

InChI=1S/C22H21N3O4/c1-15-7-5-8-16(13-15)23-21(27)17-9-3-4-10-18(17)24-20(26)14-29-22(28)19-11-6-12-25(19)2/h3-13H,14H2,1-2H3,(H,23,27)(H,24,26)