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

Systemtic Name: (5-heptylpyridin-2-yl) (E)-4-phenylbut-2-enoate Openeye Name: (5-heptyl-2-pyridyl) (E)-4-phenylbut-2-enoate CAS Name: (E)-4-phenyl-2-butenoic acid (5-heptyl-2-pyridinyl) ester IUPAC Name: (5-heptylpyridin-2-yl) (E)-4-phenylbut-2-enoate Traditional Name: (E)-4-phenylbut-2-enoic acid (5-heptyl-2-pyridyl) ester Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)OC(=O)C=CCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)OC(=O)/C=C/CC2=CC=CC=C2

InChI

InChI=1S/C22H27NO2/c1-2-3-4-5-7-13-20-16-17-21(23-18-20)25-22(24)15-10-14-19-11-8-6-9-12-19/h6,8-12,15-18H,2-5,7,13-14H2,1H3/b15-10+