[2-[(4-bromanyl-2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-ethyl-6-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22BrFN2O4 MolecularWeight: 477.323483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)Br)C)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=CC(=C1)Br)C)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22BrFN2O4/c1-3-14-9-16(23)8-13(2)21(14)25-19(27)12-30-22(29)15-10-20(28)26(11-15)18-6-4-17(24)5-7-18/h4-9,15H,3,10-12H2,1-2H3,(H,25,27)