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

Systemtic Name: ethyl (2E)-7-pyridin-3-yl-2-[(2,3,6-trimethoxy-5-methyl-phenyl)methylidene]heptanoate Openeye Name: ethyl (2E)-7-(3-pyridyl)-2-[(2,3,6-trimethoxy-5-methyl-phenyl)methylene]heptanoate CAS Name: (2E)-7-(3-pyridinyl)-2-[(2,3,6-trimethoxy-5-methylphenyl)methylidene]heptanoic acid ethyl ester IUPAC Name: ethyl (2E)-7-pyridin-3-yl-2-[(2,3,6-trimethoxy-5-methylphenyl)methylidene]heptanoate Traditional Name: (E)-2-[5-(3-pyridyl)pentyl]-3-(2,3,6-trimethoxy-5-methyl-phenyl)acrylic acid ethyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C(=CC(=C1OC)OC)C)OC)/CCCCCC2=CN=CC=C2

InChI

InChI=1S/C25H33NO5/c1-6-31-25(27)20(13-9-7-8-11-19-12-10-14-26-17-19)16-21-23(29-4)18(2)15-22(28-3)24(21)30-5/h10,12,14-17H,6-9,11,13H2,1-5H3/b20-16+