ethyl (E)-7-[4-[5,5-dimethyl-6-(oxan-2-yloxy)hexoxy]phenyl]-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: ethyl (E)-7-[4-[5,5-dimethyl-6-(oxan-2-yloxy)hexoxy]phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-(5,5-dimethyl-6-tetrahydropyran-2-yloxy-hexoxy)phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-[5,5-dimethyl-6-(2-oxanyloxy)hexoxy]phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-[5,5-dimethyl-6-(oxan-2-yloxy)hexoxy]phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-(5,5-dimethyl-6-tetrahydropyran-2-yloxy-hexoxy)phenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C33H47NO5 MolecularWeight: 537.72998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC=C(C1=CC=C(C=C1)OCCCCC(C)(C)COC2CCCCO2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCCC/C=C(\C1=CC=C(C=C1)OCCCCC(C)(C)COC2CCCCO2)/C3=CN=CC=C3

InChI

InChI=1S/C33H47NO5/c1-4-36-31(35)15-7-5-6-14-30(28-13-12-22-34-25-28)27-17-19-29(20-18-27)37-23-11-9-21-33(2,3)26-39-32-16-8-10-24-38-32/h12-14,17-20,22,25,32H,4-11,15-16,21,23-24,26H2,1-3H3/b30-14+