[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H21FN2O3/c1-14-6-4-5-7-20(14)24-21(26)13-28-22(27)19-12-15(2)25(16(19)3)18-10-8-17(23)9-11-18/h4-12H,13H2,1-3H3,(H,24,26)