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

Systemtic Name: (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)methylidene]-7-pyridin-3-yl-heptanoic acid Openeye Name: (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)methylene]-7-(3-pyridyl)heptanoic acid CAS Name: (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethylphenyl)methylidene]-7-(3-pyridinyl)heptanoic acid IUPAC Name: (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethylphenyl)methylidene]-7-pyridin-3-ylheptanoic acid Traditional Name: (E)-3-(3-butoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)-2-[5-(3-pyridyl)pentyl]acrylic acid Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C(=C1C)OC)C)C=C(CCCCCC2=CN=CC=C2)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C(=C(C(=C1C)OC)C)/C=C(\CCCCCC2=CN=CC=C2)/C(=O)O)OC

InChI

InChI=1S/C27H37NO5/c1-6-7-16-33-25-20(3)24(31-4)19(2)23(26(25)32-5)17-22(27(29)30)14-10-8-9-12-21-13-11-15-28-18-21/h11,13,15,17-18H,6-10,12,14,16H2,1-5H3,(H,29,30)/b22-17+