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

Systemtic Name: methyl 3-[[(3R)-1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[(3R)-1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[(3R)-1-(3-fluoro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-4-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)C(=O)OC)NC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H21FN2O4/c1-12-5-7-16(10-17(12)22)24-11-15(9-19(24)25)20(26)23-18-8-14(21(27)28-3)6-4-13(18)2/h4-8,10,15H,9,11H2,1-3H3,(H,23,26)/t15-/m1/s1