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

Systemtic Name: ethyl (E)-7-[4-[6-(oxan-2-yloxy)hexoxy]phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-(3-pyridyl)-7-[4-(6-tetrahydropyran-2-yloxyhexoxy)phenyl]hept-6-enoate CAS Name: (E)-7-[4-[6-(2-oxanyloxy)hexoxy]phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-[6-(oxan-2-yloxy)hexoxy]phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-(3-pyridyl)-7-[4-(6-tetrahydropyran-2-yloxyhexoxy)phenyl]hept-6-enoic acid ethyl ester Formula: C31H43NO5 MolecularWeight: 509.67682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC=C(C1=CC=C(C=C1)OCCCCCCOC2CCCCO2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCCC/C=C(\C1=CC=C(C=C1)OCCCCCCOC2CCCCO2)/C3=CN=CC=C3

InChI

InChI=1S/C31H43NO5/c1-2-34-30(33)15-7-5-6-14-29(27-13-12-21-32-25-27)26-17-19-28(20-18-26)35-22-9-3-4-10-23-36-31-16-8-11-24-37-31/h12-14,17-21,25,31H,2-11,15-16,22-24H2,1H3/b29-14+