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

Systemtic Name: ethyl 5-[2-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(E)-2-cyano-3-(3-methoxyphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(E)-2-cyano-3-(3-methoxyphenyl)acryloyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-5-29-22(27)19-13(2)20(24-14(19)3)18(25)12-30-21(26)16(11-23)9-15-7-6-8-17(10-15)28-4/h6-10,24H,5,12H2,1-4H3/b16-9+