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

Systemtic Name: O4-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester O1-methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H22N2O6/c1-3-29-19-11-9-18(10-12-19)24(14-4-13-23)20(25)15-30-22(27)17-7-5-16(6-8-17)21(26)28-2/h5-12H,3-4,14-15H2,1-2H3