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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H23FN2O5 MolecularWeight: 414.426823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O5/c1-13-4-7-19(29-3)18(8-13)25-11-15(9-21(25)27)22(28)30-12-20(26)24-16-6-5-14(2)17(23)10-16/h4-8,10,15H,9,11-12H2,1-3H3,(H,24,26)/t15-/m0/s1