(5-ethanoyl-2-methoxy-phenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (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 (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (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 (5-acetyl-2-methoxy-benzyl) ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C25H30N2O4/c1-16(2)9-10-27-17(3)11-21(18(27)4)13-22(14-26)25(29)31-15-23-12-20(19(5)28)7-8-24(23)30-6/h7-8,11-13,16H,9-10,15H2,1-6H3/b22-13+