2-hydroxyethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: 2-hydroxyethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: 2-hydroxyethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)acrylic acid 2-hydroxyethyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)OCCO)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)OCCO)C

InChI

InChI=1S/C20H22N2O4/c1-4-25-19-7-5-18(6-8-19)22-14(2)11-16(15(22)3)12-17(13-21)20(24)26-10-9-23/h5-8,11-12,23H,4,9-10H2,1-3H3/b17-12+