(Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-hept-2-enoate

Systemtic Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-hept-2-enoate Openeye Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-hept-2-enoate CAS Name: (Z)-2-(5-octyl-2-pyrimidinyl)-4-phenyl-2-heptenoate IUPAC Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenylhept-2-enoate Traditional Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-hept-2-enoate Formula: C25H33N2O2- MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C(=CC(CCC)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)/C(=C/C(CCC)C2=CC=CC=C2)/C(=O)[O-]

InChI

InChI=1S/C25H34N2O2/c1-3-5-6-7-8-10-14-20-18-26-24(27-19-20)23(25(28)29)17-22(13-4-2)21-15-11-9-12-16-21/h9,11-12,15-19,22H,3-8,10,13-14H2,1-2H3,(H,28,29)/p-1/b23-17-