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

Systemtic Name: (2E)-7-pyridin-3-yl-2-[(2,3,6-trimethoxy-5-methyl-phenyl)methylidene]heptanoic acid Openeye Name: (2E)-7-(3-pyridyl)-2-[(2,3,6-trimethoxy-5-methyl-phenyl)methylene]heptanoic acid CAS Name: (2E)-7-(3-pyridinyl)-2-[(2,3,6-trimethoxy-5-methylphenyl)methylidene]heptanoic acid IUPAC Name: (2E)-7-pyridin-3-yl-2-[(2,3,6-trimethoxy-5-methylphenyl)methylidene]heptanoic acid Traditional Name: (E)-2-[5-(3-pyridyl)pentyl]-3-(2,3,6-trimethoxy-5-methyl-phenyl)acrylic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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