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

Systemtic Name: methyl 4-[[[1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(3-fluoro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)C(=O)OC)F

InChI

InChI=1S/C21H21FN2O4/c1-13-3-8-17(10-18(13)22)24-12-16(9-19(24)25)20(26)23-11-14-4-6-15(7-5-14)21(27)28-2/h3-8,10,16H,9,11-12H2,1-2H3,(H,23,26)