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

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(4-hydroxy-3,5-dimethyl-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(4-hydroxy-3,5-dimethyl-phenyl)acryloyl]-2,5-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(=O)C(=CC2=CC(=C(C(=C2)C)O)C)C#N)C)C

Isomeric SMILES

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

InChI

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