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

Systemtic Name: O4-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(3,4-diethoxyanilino)-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-(3,4-diethoxyanilino)-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(3,4-diethoxyanilino)-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-(3,4-diethoxyanilino)-2-keto-ethyl] ester O2-ethyl ester Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(NC(=C2C)C(=O)OCC)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(NC(=C2C)C(=O)OCC)C)OCC

InChI

InChI=1S/C22H28N2O7/c1-6-28-16-10-9-15(11-17(16)29-7-2)24-18(25)12-31-21(26)19-13(4)20(23-14(19)5)22(27)30-8-3/h9-11,23H,6-8,12H2,1-5H3,(H,24,25)