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

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (3S)-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H23FN2O4/c1-3-15-6-4-5-14(2)21(15)24-19(26)13-29-22(28)16-11-20(27)25(12-16)18-9-7-17(23)8-10-18/h4-10,16H,3,11-13H2,1-2H3,(H,24,26)/t16-/m0/s1