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

Systemtic Name: ethyl (2E)-2-[(4-heptoxy-2,5-dimethoxy-3,6-dimethyl-phenyl)methylidene]-7-pyridin-3-yl-heptanoate Openeye Name: ethyl (2E)-2-[(4-heptoxy-2,5-dimethoxy-3,6-dimethyl-phenyl)methylene]-7-(3-pyridyl)heptanoate CAS Name: (2E)-2-[(4-heptoxy-2,5-dimethoxy-3,6-dimethylphenyl)methylidene]-7-(3-pyridinyl)heptanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(4-heptoxy-2,5-dimethoxy-3,6-dimethylphenyl)methylidene]-7-pyridin-3-ylheptanoate Traditional Name: (E)-3-(4-heptoxy-2,5-dimethoxy-3,6-dimethyl-phenyl)-2-[5-(3-pyridyl)pentyl]acrylic acid ethyl ester Formula: C32H47NO5 MolecularWeight: 525.71928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H47NO5/c1-7-9-10-11-15-21-38-31-25(4)29(35-5)28(24(3)30(31)36-6)22-27(32(34)37-8-2)19-14-12-13-17-26-18-16-20-33-23-26/h16,18,20,22-23H,7-15,17,19,21H2,1-6H3/b27-22+