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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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