ethyl (E)-7-[4-(11-oxidanylundecoxy)phenyl]-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: ethyl (E)-7-[4-(11-oxidanylundecoxy)phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-(11-hydroxyundecoxy)phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-(11-hydroxyundecoxy)phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-(11-hydroxyundecoxy)phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-(11-hydroxyundecoxy)phenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C31H45NO4 MolecularWeight: 495.6933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC=C(C1=CC=C(C=C1)OCCCCCCCCCCCO)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCCC/C=C(\C1=CC=C(C=C1)OCCCCCCCCCCCO)/C2=CN=CC=C2

InChI

InChI=1S/C31H45NO4/c1-2-35-31(34)18-12-10-11-17-30(28-16-15-23-32-26-28)27-19-21-29(22-20-27)36-25-14-9-7-5-3-4-6-8-13-24-33/h15-17,19-23,26,33H,2-14,18,24-25H2,1H3/b30-17+