[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 1-methylpyrrole-2-carboxylate Openeye Name: [4-(2,6-dimethylanilino)-4-oxo-butyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [4-(2,6-dimethylanilino)-4-oxobutyl] ester IUPAC Name: [4-(2,6-dimethylanilino)-4-oxobutyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [4-(2,6-dimethylanilino)-4-keto-butyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)C2=CC=CN2C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)C2=CC=CN2C

InChI

InChI=1S/C18H22N2O3/c1-13-7-4-8-14(2)17(13)19-16(21)10-6-12-23-18(22)15-9-5-11-20(15)3/h4-5,7-9,11H,6,10,12H2,1-3H3,(H,19,21)