2-[4-[(2-butyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-6-oxo-pyrimidin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-6-oxo-1-pyrimidinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-6-keto-pyrimidin-1-yl)methyl]phenyl]benzoic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=NC=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H22N2O3/c1-2-3-8-20-23-14-13-21(25)24(20)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)22(26)27/h4-7,9-14H,2-3,8,15H2,1H3,(H,26,27)