(2E)-2-[(4-ethoxy-2,5-dimethoxy-3,6-dimethyl-phenyl)methylidene]-7-pyridin-3-yl-heptanoic acid

Systemtic Name: (2E)-2-[(4-ethoxy-2,5-dimethoxy-3,6-dimethyl-phenyl)methylidene]-7-pyridin-3-yl-heptanoic acid Openeye Name: (2E)-2-[(4-ethoxy-2,5-dimethoxy-3,6-dimethyl-phenyl)methylene]-7-(3-pyridyl)heptanoic acid CAS Name: (2E)-2-[(4-ethoxy-2,5-dimethoxy-3,6-dimethylphenyl)methylidene]-7-(3-pyridinyl)heptanoic acid IUPAC Name: (2E)-2-[(4-ethoxy-2,5-dimethoxy-3,6-dimethylphenyl)methylidene]-7-pyridin-3-ylheptanoic acid Traditional Name: (E)-3-(4-ethoxy-2,5-dimethoxy-3,6-dimethyl-phenyl)-2-[5-(3-pyridyl)pentyl]acrylic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1C)OC)C=C(CCCCCC2=CN=CC=C2)C(=O)O)C)OC

Isomeric SMILES

CCOC1=C(C(=C(C(=C1C)OC)/C=C(\CCCCCC2=CN=CC=C2)/C(=O)O)C)OC

InChI

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