2-[1-(4-bromophenyl)-3-[(4-methylphenyl)methyl]-2-oxidanylidene-1,3-diazinan-5-yl]ethanoic acid

Systemtic Name: 2-[1-(4-bromophenyl)-3-[(4-methylphenyl)methyl]-2-oxidanylidene-1,3-diazinan-5-yl]ethanoic acid Openeye Name: 2-[1-(4-bromophenyl)-2-oxo-3-(p-tolylmethyl)hexahydropyrimidin-5-yl]acetic acid CAS Name: 2-[1-(4-bromophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-5-yl]acetic acid IUPAC Name: 2-[1-(4-bromophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-5-yl]acetic acid Traditional Name: 2-[1-(4-bromophenyl)-2-keto-3-(4-methylbenzyl)hexahydropyrimidin-5-yl]acetic acid Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CN(C2=O)C3=CC=C(C=C3)Br)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC(CN(C2=O)C3=CC=C(C=C3)Br)CC(=O)O

InChI

InChI=1S/C20H21BrN2O3/c1-14-2-4-15(5-3-14)11-22-12-16(10-19(24)25)13-23(20(22)26)18-8-6-17(21)7-9-18/h2-9,16H,10-13H2,1H3,(H,24,25)