[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-methoxycarbonylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-methoxycarbonylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] (3S)-1-(4-methoxycarbonylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methoxycarbonylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] (3S)-1-(4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-carbomethoxyphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C21H19FN2O6 MolecularWeight: 414.383763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O6/c1-29-20(27)13-2-8-17(9-3-13)24-11-14(10-19(24)26)21(28)30-12-18(25)23-16-6-4-15(22)5-7-16/h2-9,14H,10-12H2,1H3,(H,23,25)/t14-/m0/s1