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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)C)C

InChI

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