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

Systemtic Name: (2E)-2-[(3-heptoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)methylidene]-7-pyridin-3-yl-heptanoic acid Openeye Name: (2E)-2-[(3-heptoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)methylene]-7-(3-pyridyl)heptanoic acid CAS Name: (2E)-2-[(3-heptoxy-2,5-dimethoxy-4,6-dimethylphenyl)methylidene]-7-(3-pyridinyl)heptanoic acid IUPAC Name: (2E)-2-[(3-heptoxy-2,5-dimethoxy-4,6-dimethylphenyl)methylidene]-7-pyridin-3-ylheptanoic acid Traditional Name: (E)-3-(3-heptoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)-2-[5-(3-pyridyl)pentyl]acrylic acid Formula: C30H43NO5 MolecularWeight: 497.66612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C(=C1C)OC)C)C=C(CCCCCC2=CN=CC=C2)C(=O)O)OC

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C(=C1C)OC)C)/C=C(\CCCCCC2=CN=CC=C2)/C(=O)O)OC

InChI

InChI=1S/C30H43NO5/c1-6-7-8-9-13-19-36-28-23(3)27(34-4)22(2)26(29(28)35-5)20-25(30(32)33)17-12-10-11-15-24-16-14-18-31-21-24/h14,16,18,20-21H,6-13,15,17,19H2,1-5H3,(H,32,33)/b25-20+