[2-[(4-bromanyl-3,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-3,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-3,5-dimethyl-anilino)-2-oxo-ethyl] 1-(o-tolyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl] 1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(o-tolyl)pyrrolidine-3-carboxylic acid [2-(4-bromo-3,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C(=C3)C)Br)C

Isomeric SMILES

CC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C(=C3)C)Br)C

InChI

InChI=1S/C22H23BrN2O4/c1-13-6-4-5-7-18(13)25-11-16(10-20(25)27)22(28)29-12-19(26)24-17-8-14(2)21(23)15(3)9-17/h4-9,16H,10-12H2,1-3H3,(H,24,26)