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

Systemtic Name: (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)methylidene]-5-pyridin-3-yl-pentanoic acid Openeye Name: (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)methylene]-5-(3-pyridyl)pentanoic acid CAS Name: (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethylphenyl)methylidene]-5-(3-pyridinyl)pentanoic acid IUPAC Name: (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethylphenyl)methylidene]-5-pyridin-3-ylpentanoic acid Traditional Name: (E)-3-(3-butoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)-2-[3-(3-pyridyl)propyl]acrylic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C(=C1C)OC)C)C=C(CCCC2=CN=CC=C2)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C(=C(C(=C1C)OC)C)/C=C(\CCCC2=CN=CC=C2)/C(=O)O)OC

InChI

InChI=1S/C25H33NO5/c1-6-7-14-31-23-18(3)22(29-4)17(2)21(24(23)30-5)15-20(25(27)28)12-8-10-19-11-9-13-26-16-19/h9,11,13,15-16H,6-8,10,12,14H2,1-5H3,(H,27,28)/b20-15+