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

Systemtic Name: phenacyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: phenacyl (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid phenacyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H24N2O3/c1-15(2)13-24-16(3)10-19(17(24)4)11-20(12-23)22(26)27-14-21(25)18-8-6-5-7-9-18/h5-11,15H,13-14H2,1-4H3/b20-11+