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

Systemtic Name: 2-[1-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-2-oxidanylidene-1,3-diazinan-5-yl]ethanoic acid Openeye Name: 2-[1-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-2-oxo-hexahydropyrimidin-5-yl]acetic acid CAS Name: 2-[1-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-5-yl]acetic acid IUPAC Name: 2-[1-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-5-yl]acetic acid Traditional Name: 2-[1-(4-bromophenyl)-2-keto-3-p-anisyl-hexahydropyrimidin-5-yl]acetic acid Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(C2=O)C3=CC=C(C=C3)Br)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(C2=O)C3=CC=C(C=C3)Br)CC(=O)O

InChI

InChI=1S/C20H21BrN2O4/c1-27-18-8-2-14(3-9-18)11-22-12-15(10-19(24)25)13-23(20(22)26)17-6-4-16(21)5-7-17/h2-9,15H,10-13H2,1H3,(H,24,25)