methyl 4-[2-[[1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[1-(3-fluoro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]ethyl]benzoic acid methyl ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)F

InChI

InChI=1S/C22H23FN2O4/c1-14-3-8-18(12-19(14)23)25-13-17(11-20(25)26)21(27)24-10-9-15-4-6-16(7-5-15)22(28)29-2/h3-8,12,17H,9-11,13H2,1-2H3,(H,24,27)