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

Systemtic Name: (5-octylpyrimidin-2-yl) (E)-4-phenylhept-2-enoate Openeye Name: (5-octylpyrimidin-2-yl) (E)-4-phenylhept-2-enoate CAS Name: (E)-4-phenyl-2-heptenoic acid (5-octyl-2-pyrimidinyl) ester IUPAC Name: (5-octylpyrimidin-2-yl) (E)-4-phenylhept-2-enoate Traditional Name: (E)-4-phenylhept-2-enoic acid (5-octylpyrimidin-2-yl) ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)OC(=O)C=CC(CCC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-3-5-6-7-8-10-14-21-19-26-25(27-20-21)29-24(28)18-17-22(13-4-2)23-15-11-9-12-16-23/h9,11-12,15-20,22H,3-8,10,13-14H2,1-2H3/b18-17+