[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)F)C

InChI

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