[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] (3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C22H21FN2O5 MolecularWeight: 412.410943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O5/c1-13-3-6-17(7-4-13)25-11-15(9-21(25)28)22(29)30-12-20(27)18-8-5-16(10-19(18)23)24-14(2)26/h3-8,10,15H,9,11-12H2,1-2H3,(H,24,26)/t15-/m0/s1