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

Systemtic Name: ethyl (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)methylidene]-7-pyridin-3-yl-heptanoate Openeye Name: ethyl (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)methylene]-7-(3-pyridyl)heptanoate CAS Name: (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethylphenyl)methylidene]-7-(3-pyridinyl)heptanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(3-butoxy-2,5-dimethoxy-4,6-dimethylphenyl)methylidene]-7-pyridin-3-ylheptanoate Traditional Name: (E)-3-(3-butoxy-2,5-dimethoxy-4,6-dimethyl-phenyl)-2-[5-(3-pyridyl)pentyl]acrylic acid ethyl ester Formula: C29H41NO5 MolecularWeight: 483.63954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C(=C1C)OC)C)C=C(CCCCCC2=CN=CC=C2)C(=O)OCC)OC

Isomeric SMILES

CCCCOC1=C(C(=C(C(=C1C)OC)C)/C=C(\CCCCCC2=CN=CC=C2)/C(=O)OCC)OC

InChI

InChI=1S/C29H41NO5/c1-7-9-18-35-27-22(4)26(32-5)21(3)25(28(27)33-6)19-24(29(31)34-8-2)16-12-10-11-14-23-15-13-17-30-20-23/h13,15,17,19-20H,7-12,14,16,18H2,1-6H3/b24-19+