2-[4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-keto-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=CN1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=C(C(=O)N=CN1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H20N2O3/c1-2-5-19-18(20(24)23-13-22-19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21(25)26/h3-4,6-11,13H,2,5,12H2,1H3,(H,25,26)(H,22,23,24)