[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-15-11-16(2)13-18(12-15)22-20(24)14-26-21(25)17-5-7-19(8-6-17)23-9-3-4-10-23/h3-13H,14H2,1-2H3,(H,22,24)