ethyl 5-[(2E,4E)-2-cyano-4-methyl-5-phenyl-penta-2,4-dienoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2E,4E)-2-cyano-4-methyl-5-phenyl-penta-2,4-dienoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2E,4E)-2-cyano-4-methyl-5-phenyl-penta-2,4-dienoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2E,4E)-2-cyano-4-methyl-1-oxo-5-phenylpenta-2,4-dienyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2E,4E)-2-cyano-4-methyl-5-phenyl-penta-2,4-dienoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC(=CC2=CC=CC=C2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C(=C/C2=CC=CC=C2)/C)/C#N)C

InChI

InChI=1S/C22H22N2O3/c1-5-27-22(26)19-15(3)20(24-16(19)4)21(25)18(13-23)12-14(2)11-17-9-7-6-8-10-17/h6-12,24H,5H2,1-4H3/b14-11+,18-12+