[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrol-1-ylbenzoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-15-6-5-7-18(14-15)22-20(24)16(2)26-21(25)17-8-10-19(11-9-17)23-12-3-4-13-23/h3-14,16H,1-2H3,(H,22,24)