(5-heptylpyridin-2-yl) (E)-4-phenyloct-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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