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

Systemtic Name: 4-[3-[(3-fluorophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 4-[3-[(3-fluorophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 4-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 4-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzoic acid Traditional Name: 4-[3-(3-fluorobenzyl)-2-keto-hexahydropyrimidin-1-yl]benzoic acid Formula: C18H17FN2O3 MolecularWeight: 328.337583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)C(=O)O)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)C(=O)O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H17FN2O3/c19-15-4-1-3-13(11-15)12-20-9-2-10-21(18(20)24)16-7-5-14(6-8-16)17(22)23/h1,3-8,11H,2,9-10,12H2,(H,22,23)