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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-(4-methoxy-3-methylphenyl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(4-methoxy-3-methylphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(4-methoxy-3-methyl-phenyl)acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-6-27-21(25)18-13(3)19(23-14(18)4)20(24)16(11-22)10-15-7-8-17(26-5)12(2)9-15/h7-10,23H,6H2,1-5H3/b16-10+