O2-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester O4-ethyl ester IUPAC Name: 2-O-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester O4-ethyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C23H27N3O6/c1-5-30-18-10-8-17(9-11-18)26(13-7-12-24)19(27)14-32-23(29)21-15(3)20(16(4)25-21)22(28)31-6-2/h8-11,25H,5-7,13-14H2,1-4H3