(Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-but-2-enoic acid

Systemtic Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-but-2-enoic acid Openeye Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-but-2-enoic acid CAS Name: (Z)-2-(5-nonyl-2-pyrimidinyl)-4-phenyl-2-butenoic acid IUPAC Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenylbut-2-enoic acid Traditional Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-but-2-enoic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C(=CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)/C(=C/CC2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C23H30N2O2/c1-2-3-4-5-6-7-9-14-20-17-24-22(25-18-20)21(23(26)27)16-15-19-12-10-8-11-13-19/h8,10-13,16-18H,2-7,9,14-15H2,1H3,(H,26,27)/b21-16-