[4-(5-heptylpyridin-2-yl)phenyl] (E)-oct-2-enoate

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] (E)-oct-2-enoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] (E)-oct-2-enoate CAS Name: (E)-2-octenoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] (E)-oct-2-enoate Traditional Name: (E)-oct-2-enoic acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C=CCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)/C=C/CCCCC

InChI

InChI=1S/C26H35NO2/c1-3-5-7-9-11-13-22-15-20-25(27-21-22)23-16-18-24(19-17-23)29-26(28)14-12-10-8-6-4-2/h12,14-21H,3-11,13H2,1-2H3/b14-12+