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

Systemtic Name: (2E)-2-[(2,5-dimethoxy-3,6-dimethyl-4-oxidanyl-phenyl)methylidene]-7-pyridin-3-yl-heptanoic acid Openeye Name: (2E)-2-[(4-hydroxy-2,5-dimethoxy-3,6-dimethyl-phenyl)methylene]-7-(3-pyridyl)heptanoic acid CAS Name: (2E)-2-[(4-hydroxy-2,5-dimethoxy-3,6-dimethylphenyl)methylidene]-7-(3-pyridinyl)heptanoic acid IUPAC Name: (2E)-2-[(4-hydroxy-2,5-dimethoxy-3,6-dimethylphenyl)methylidene]-7-pyridin-3-ylheptanoic acid Traditional Name: (E)-3-(4-hydroxy-2,5-dimethoxy-3,6-dimethyl-phenyl)-2-[5-(3-pyridyl)pentyl]acrylic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)O)C)OC)C=C(CCCCCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)O)C)OC)/C=C(\CCCCCC2=CN=CC=C2)/C(=O)O

InChI

InChI=1S/C23H29NO5/c1-15-19(21(28-3)16(2)20(25)22(15)29-4)13-18(23(26)27)11-7-5-6-9-17-10-8-12-24-14-17/h8,10,12-14,25H,5-7,9,11H2,1-4H3,(H,26,27)/b18-13+