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

Systemtic Name: (5-hexylpyridin-2-yl) (E)-4-phenylnon-2-enoate Openeye Name: (5-hexyl-2-pyridyl) (E)-4-phenylnon-2-enoate CAS Name: (E)-4-phenyl-2-nonenoic acid (5-hexyl-2-pyridinyl) ester IUPAC Name: (5-hexylpyridin-2-yl) (E)-4-phenylnon-2-enoate Traditional Name: (E)-4-phenylnon-2-enoic acid (5-hexyl-2-pyridyl) ester Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)OC(=O)C=CC(CCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)OC(=O)/C=C/C(CCCCC)C2=CC=CC=C2

InChI

InChI=1S/C26H35NO2/c1-3-5-7-10-13-22-17-19-25(27-21-22)29-26(28)20-18-24(14-9-6-4-2)23-15-11-8-12-16-23/h8,11-12,15-21,24H,3-7,9-10,13-14H2,1-2H3/b20-18+