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

Systemtic Name: phenacyl (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: phenacyl (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid phenacyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2OC)C)C=C(C#N)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2OC)C)/C=C(\C#N)/C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H22N2O4/c1-17-13-20(18(2)27(17)22-11-7-8-12-24(22)30-3)14-21(15-26)25(29)31-16-23(28)19-9-5-4-6-10-19/h4-14H,16H2,1-3H3/b21-14+