(2E)-7-pyridin-3-yl-2-[(2,3,4-trimethoxy-6-methyl-5-oxidanyl-phenyl)methylidene]heptanoic acid

Systemtic Name: (2E)-7-pyridin-3-yl-2-[(2,3,4-trimethoxy-6-methyl-5-oxidanyl-phenyl)methylidene]heptanoic acid Openeye Name: (2E)-2-[(5-hydroxy-2,3,4-trimethoxy-6-methyl-phenyl)methylene]-7-(3-pyridyl)heptanoic acid CAS Name: (2E)-2-[(5-hydroxy-2,3,4-trimethoxy-6-methylphenyl)methylidene]-7-(3-pyridinyl)heptanoic acid IUPAC Name: (2E)-2-[(5-hydroxy-2,3,4-trimethoxy-6-methylphenyl)methylidene]-7-pyridin-3-ylheptanoic acid Traditional Name: (E)-3-(5-hydroxy-2,3,4-trimethoxy-6-methyl-phenyl)-2-[5-(3-pyridyl)pentyl]acrylic acid Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)OC)OC)OC)C=C(CCCCCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1O)OC)OC)OC)/C=C(\CCCCCC2=CN=CC=C2)/C(=O)O

InChI

InChI=1S/C23H29NO6/c1-15-18(20(28-2)22(30-4)21(29-3)19(15)25)13-17(23(26)27)11-7-5-6-9-16-10-8-12-24-14-16/h8,10,12-14,25H,5-7,9,11H2,1-4H3,(H,26,27)/b17-13+