[2-oxidanylidene-2-(1H-pyrrol-2-ylcarbonylamino)ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-ylcarbonylamino)ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl] 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolecarboxylic acid [2-oxo-2-[[oxo(1H-pyrrol-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylic acid [2-keto-2-(1H-pyrrole-2-carbonylamino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)NC(=O)C3=CC=CN3)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)NC(=O)C3=CC=CN3)C

InChI

InChI=1S/C21H21N3O4/c1-13-7-4-5-9-18(13)24-14(2)11-16(15(24)3)21(27)28-12-19(25)23-20(26)17-8-6-10-22-17/h4-11,22H,12H2,1-3H3,(H,23,25,26)