3-[3-[(4-methylphenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[3-[(4-methylphenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[2-oxo-3-(p-tolylmethyl)hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[2-keto-3-(4-methylbenzyl)hexahydropyrimidin-1-yl]benzoic acid Formula: C19H20N2O3 MolecularWeight: 324.3737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(C2=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H20N2O3/c1-14-6-8-15(9-7-14)13-20-10-3-11-21(19(20)24)17-5-2-4-16(12-17)18(22)23/h2,4-9,12H,3,10-11,13H2,1H3,(H,22,23)