[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C17H18N2O4/c1-11-5-3-4-6-13(11)8-19-16(21)10-23-17(22)15-7-14(9-18-15)12(2)20/h3-7,9,18H,8,10H2,1-2H3,(H,19,21)