ethyl (2E)-7-pyridin-3-yl-2-[(2,3,5-trimethoxy-4,6-dimethyl-phenyl)methylidene]heptanoate

Systemtic Name: ethyl (2E)-7-pyridin-3-yl-2-[(2,3,5-trimethoxy-4,6-dimethyl-phenyl)methylidene]heptanoate Openeye Name: ethyl (2E)-7-(3-pyridyl)-2-[(2,3,5-trimethoxy-4,6-dimethyl-phenyl)methylene]heptanoate CAS Name: (2E)-7-(3-pyridinyl)-2-[(2,3,5-trimethoxy-4,6-dimethylphenyl)methylidene]heptanoic acid ethyl ester IUPAC Name: ethyl (2E)-7-pyridin-3-yl-2-[(2,3,5-trimethoxy-4,6-dimethylphenyl)methylidene]heptanoate Traditional Name: (E)-2-[5-(3-pyridyl)pentyl]-3-(2,3,5-trimethoxy-4,6-dimethyl-phenyl)acrylic acid ethyl ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO5/c1-7-32-26(28)21(14-10-8-9-12-20-13-11-15-27-17-20)16-22-18(2)23(29-4)19(3)24(30-5)25(22)31-6/h11,13,15-17H,7-10,12,14H2,1-6H3/b21-16+