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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-3-methyl-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-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(2-ethylphenyl)-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:

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

Isomeric SMILES

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

InChI

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