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

Systemtic Name: phenacyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: phenacyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid phenacyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)/C=C(\C#N)/C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4/c1-15-11-18(16(2)23(15)9-10-26-3)12-19(13-22)21(25)27-14-20(24)17-7-5-4-6-8-17/h4-8,11-12H,9-10,14H2,1-3H3/b19-12+