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

Systemtic Name: O4-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester O2-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(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(NC(=C2C)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)14-32-22(28)20-15(3)21(25-16(20)4)23(29)31-6-2/h8-11,25H,5-7,13-14H2,1-4H3