ethyl (2E)-8-pyridin-3-yl-2-[(2,4,5-trimethoxy-3,6-dimethyl-phenyl)methylidene]octanoate

Systemtic Name: ethyl (2E)-8-pyridin-3-yl-2-[(2,4,5-trimethoxy-3,6-dimethyl-phenyl)methylidene]octanoate Openeye Name: ethyl (2E)-8-(3-pyridyl)-2-[(2,4,5-trimethoxy-3,6-dimethyl-phenyl)methylene]octanoate CAS Name: (2E)-8-(3-pyridinyl)-2-[(2,4,5-trimethoxy-3,6-dimethylphenyl)methylidene]octanoic acid ethyl ester IUPAC Name: ethyl (2E)-8-pyridin-3-yl-2-[(2,4,5-trimethoxy-3,6-dimethylphenyl)methylidene]octanoate Traditional Name: (E)-2-[6-(3-pyridyl)hexyl]-3-(2,4,5-trimethoxy-3,6-dimethyl-phenyl)acrylic acid ethyl ester Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C(=C(C(=C1OC)C)OC)OC)C)CCCCCCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C(=C(C(=C1OC)C)OC)OC)C)/CCCCCCC2=CN=CC=C2

InChI

InChI=1S/C27H37NO5/c1-7-33-27(29)22(15-11-9-8-10-13-21-14-12-16-28-18-21)17-23-19(2)25(31-5)26(32-6)20(3)24(23)30-4/h12,14,16-18H,7-11,13,15H2,1-6H3/b22-17+