2-[4-(5-propyl-2-pyrimidin-2-yl-phenyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(5-propyl-2-pyrimidin-2-yl-phenyl)phenyl]ethanoic acid Openeye Name: 2-[4-(5-propyl-2-pyrimidin-2-yl-phenyl)phenyl]acetic acid CAS Name: 2-[4-[5-propyl-2-(2-pyrimidinyl)phenyl]phenyl]acetic acid IUPAC Name: 2-[4-(5-propyl-2-pyrimidin-2-ylphenyl)phenyl]acetic acid Traditional Name: 2-[4-[5-propyl-2-(2-pyrimidyl)phenyl]phenyl]acetic acid Formula: C21H20N2O2 MolecularWeight: 332.3957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C21H20N2O2/c1-2-4-15-7-10-18(21-22-11-3-12-23-21)19(13-15)17-8-5-16(6-9-17)14-20(24)25/h3,5-13H,2,4,14H2,1H3,(H,24,25)