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

Systemtic Name: [2-[(4-bromanyl-3,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-3,5-dimethyl-anilino)-2-oxo-ethyl] 1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(2-ethylphenyl)-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-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(2-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-3,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C23H25BrN2O4 MolecularWeight: 473.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C(=C3)C)Br)C

Isomeric SMILES

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C(=C3)C)Br)C

InChI

InChI=1S/C23H25BrN2O4/c1-4-16-7-5-6-8-19(16)26-12-17(11-21(26)28)23(29)30-13-20(27)25-18-9-14(2)22(24)15(3)10-18/h5-10,17H,4,11-13H2,1-3H3,(H,25,27)