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

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: 2-methoxyethyl (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-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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-methoxyethyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-5-26-20-8-6-19(7-9-20)23-15(2)12-17(16(23)3)13-18(14-22)21(24)27-11-10-25-4/h6-9,12-13H,5,10-11H2,1-4H3/b18-13+