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

Systemtic Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-oct-2-enoate Openeye Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-oct-2-enoate CAS Name: (Z)-2-(5-octyl-2-pyrimidinyl)-4-phenyl-2-octenoate IUPAC Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyloct-2-enoate Traditional Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-oct-2-enoate Formula: C26H35N2O2- MolecularWeight: 407.5683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-3-5-7-8-9-11-14-21-19-27-25(28-20-21)24(26(29)30)18-23(15-6-4-2)22-16-12-10-13-17-22/h10,12-13,16-20,23H,3-9,11,14-15H2,1-2H3,(H,29,30)/p-1/b24-18-