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

Systemtic Name: (5-octylpyridin-2-yl) (E)-4-phenylnon-2-enoate Openeye Name: (5-octyl-2-pyridyl) (E)-4-phenylnon-2-enoate CAS Name: (E)-4-phenyl-2-nonenoic acid (5-octyl-2-pyridinyl) ester IUPAC Name: (5-octylpyridin-2-yl) (E)-4-phenylnon-2-enoate Traditional Name: (E)-4-phenylnon-2-enoic acid (5-octyl-2-pyridyl) ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO2/c1-3-5-7-8-9-12-15-24-19-21-27(29-23-24)31-28(30)22-20-26(16-11-6-4-2)25-17-13-10-14-18-25/h10,13-14,17-23,26H,3-9,11-12,15-16H2,1-2H3/b22-20+