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

Systemtic Name: ethyl (2E)-6-pyridin-3-yl-2-[(2,4,5-trimethoxy-3,6-dimethyl-phenyl)methylidene]hexanoate Openeye Name: ethyl (2E)-6-(3-pyridyl)-2-[(2,4,5-trimethoxy-3,6-dimethyl-phenyl)methylene]hexanoate CAS Name: (2E)-6-(3-pyridinyl)-2-[(2,4,5-trimethoxy-3,6-dimethylphenyl)methylidene]hexanoic acid ethyl ester IUPAC Name: ethyl (2E)-6-pyridin-3-yl-2-[(2,4,5-trimethoxy-3,6-dimethylphenyl)methylidene]hexanoate Traditional Name: (E)-2-[4-(3-pyridyl)butyl]-3-(2,4,5-trimethoxy-3,6-dimethyl-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(=C(C(=C1OC)C)OC)OC)C)CCCCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C(=C(C(=C1OC)C)OC)OC)C)/CCCCC2=CN=CC=C2

InChI

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