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

Systemtic Name: phenyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: phenyl (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 phenyl ester IUPAC Name: phenyl (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 phenyl ester Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O2/c1-14(2)13-22-15(3)10-17(16(22)4)11-18(12-21)20(23)24-19-8-6-5-7-9-19/h5-11,14H,13H2,1-4H3/b18-11+