ethyl 4-[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)C2=C(NC(=C2C(=O)OCC)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=C(NC(=C2C(=O)OCC)C)C

InChI

InChI=1S/C23H26N2O4/c1-5-7-12-29-19-10-8-17(9-11-19)13-18(14-24)22(26)20-15(3)25-16(4)21(20)23(27)28-6-2/h8-11,13,25H,5-7,12H2,1-4H3/b18-13+