O4-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H17FN2O5 MolecularWeight: 384.357783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H17FN2O5/c1-27-19(25)14-3-5-15(6-4-14)20(26)28-13-18(24)23(12-2-11-22)17-9-7-16(21)8-10-17/h3-10H,2,12-13H2,1H3