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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) (E)-2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OC(C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)OC(C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H28N2O3/c1-16(2)11-12-26-17(3)13-21(18(26)4)14-22(15-25)24(28)29-19(5)23(27)20-9-7-6-8-10-20/h6-10,13-14,16,19H,11-12H2,1-5H3/b22-14+