(Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid

Systemtic Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid Openeye Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid CAS Name: (Z)-2-(5-hexyl-2-pyrimidinyl)-4-phenyl-2-hexenoic acid IUPAC Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenylhex-2-enoic acid Traditional Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C(=CC(CC)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)/C(=C/C(CC)C2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C22H28N2O2/c1-3-5-6-8-11-17-15-23-21(24-16-17)20(22(25)26)14-18(4-2)19-12-9-7-10-13-19/h7,9-10,12-16,18H,3-6,8,11H2,1-2H3,(H,25,26)/b20-14-