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

Systemtic Name: [2-[(4-bromanyl-3,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-3,5-dimethyl-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-3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-3,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H20BrFN2O4 MolecularWeight: 463.296903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20BrFN2O4/c1-12-7-16(8-13(2)20(12)22)24-18(26)11-29-21(28)14-9-19(27)25(10-14)17-5-3-15(23)4-6-17/h3-8,14H,9-11H2,1-2H3,(H,24,26)