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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(C2=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(C2=O)C3=CC=C(C=C3)C(=O)O

InChI

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