diethyl 5-[[(4-ethoxycarbonylphenyl)amino]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(4-ethoxycarbonylphenyl)amino]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-ethoxycarbonylanilino)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(4-ethoxycarbonylanilino)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-ethoxycarbonylanilino)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(4-carbethoxyanilino)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C21H26N2O6/c1-5-27-19(24)14-8-10-15(11-9-14)22-12-16-17(20(25)28-6-2)13(4)18(23-16)21(26)29-7-3/h8-11,22-23H,5-7,12H2,1-4H3