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

Systemtic Name: (5-octylpyridin-2-yl) (E)-4-phenyloct-2-enoate Openeye Name: (5-octyl-2-pyridyl) (E)-4-phenyloct-2-enoate CAS Name: (E)-4-phenyl-2-octenoic acid (5-octyl-2-pyridinyl) ester IUPAC Name: (5-octylpyridin-2-yl) (E)-4-phenyloct-2-enoate Traditional Name: (E)-4-phenyloct-2-enoic acid (5-octyl-2-pyridyl) ester Formula: C27H37NO2 MolecularWeight: 407.58818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO2/c1-3-5-7-8-9-11-14-23-18-20-26(28-22-23)30-27(29)21-19-25(15-6-4-2)24-16-12-10-13-17-24/h10,12-13,16-22,25H,3-9,11,14-15H2,1-2H3/b21-19+