(5-octylpyridin-2-yl) (E)-4-phenylhept-2-enoate

Systemtic Name: (5-octylpyridin-2-yl) (E)-4-phenylhept-2-enoate Openeye Name: (5-octyl-2-pyridyl) (E)-4-phenylhept-2-enoate CAS Name: (E)-4-phenyl-2-heptenoic acid (5-octyl-2-pyridinyl) ester IUPAC Name: (5-octylpyridin-2-yl) (E)-4-phenylhept-2-enoate Traditional Name: (E)-4-phenylhept-2-enoic acid (5-octyl-2-pyridyl) ester Formula: C26H35NO2 MolecularWeight: 393.5616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)OC(=O)C=CC(CCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)OC(=O)/C=C/C(CCC)C2=CC=CC=C2

InChI

InChI=1S/C26H35NO2/c1-3-5-6-7-8-10-14-22-17-19-25(27-21-22)29-26(28)20-18-23(13-4-2)24-15-11-9-12-16-24/h9,11-12,15-21,23H,3-8,10,13-14H2,1-2H3/b20-18+