diethyl 3-[1-(4-methoxyphenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-[1-(4-methoxyphenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-[1-(4-methoxyphenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-[1-(4-methoxyphenyl)-3-pyrrolyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-[1-(4-methoxyphenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-[1-(4-methoxyphenyl)pyrrol-3-yl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C1C2=CN(C=C2)C3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CNC(=C1C2=CN(C=C2)C3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C21H22N2O5/c1-4-27-20(24)17-12-22-19(21(25)28-5-2)18(17)14-10-11-23(13-14)15-6-8-16(26-3)9-7-15/h6-13,22H,4-5H2,1-3H3