(2E)-8-pyridin-3-yl-2-[(2,3,6-trimethoxy-4,5-dimethyl-phenyl)methylidene]octanoic acid

Systemtic Name: (2E)-8-pyridin-3-yl-2-[(2,3,6-trimethoxy-4,5-dimethyl-phenyl)methylidene]octanoic acid Openeye Name: (2E)-8-(3-pyridyl)-2-[(2,3,6-trimethoxy-4,5-dimethyl-phenyl)methylene]octanoic acid CAS Name: (2E)-8-(3-pyridinyl)-2-[(2,3,6-trimethoxy-4,5-dimethylphenyl)methylidene]octanoic acid IUPAC Name: (2E)-8-pyridin-3-yl-2-[(2,3,6-trimethoxy-4,5-dimethylphenyl)methylidene]octanoic acid Traditional Name: (E)-2-[6-(3-pyridyl)hexyl]-3-(2,3,6-trimethoxy-4,5-dimethyl-phenyl)acrylic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)C=C(CCCCCCC2=CN=CC=C2)C(=O)O)OC)OC)C

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)/C=C(\CCCCCCC2=CN=CC=C2)/C(=O)O)OC)OC)C

InChI

InChI=1S/C25H33NO5/c1-17-18(2)23(30-4)24(31-5)21(22(17)29-3)15-20(25(27)28)13-9-7-6-8-11-19-12-10-14-26-16-19/h10,12,14-16H,6-9,11,13H2,1-5H3,(H,27,28)/b20-15+