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

Systemtic Name: (5-heptylpyridin-2-yl) (E)-4-phenylhept-2-enoate Openeye Name: (5-heptyl-2-pyridyl) (E)-4-phenylhept-2-enoate CAS Name: (E)-4-phenyl-2-heptenoic acid (5-heptyl-2-pyridinyl) ester IUPAC Name: (5-heptylpyridin-2-yl) (E)-4-phenylhept-2-enoate Traditional Name: (E)-4-phenylhept-2-enoic acid (5-heptyl-2-pyridyl) ester Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO2/c1-3-5-6-7-9-13-21-16-18-24(26-20-21)28-25(27)19-17-22(12-4-2)23-14-10-8-11-15-23/h8,10-11,14-20,22H,3-7,9,12-13H2,1-2H3/b19-17+