dimethyl 2-[[(3S)-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(3S)-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(3S)-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3S)-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(3S)-1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H19FN2O6 MolecularWeight: 414.383763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O6/c1-29-20(27)12-3-8-16(21(28)30-2)17(9-12)23-19(26)13-10-18(25)24(11-13)15-6-4-14(22)5-7-15/h3-9,13H,10-11H2,1-2H3,(H,23,26)/t13-/m0/s1