(phenylmethyl) 2-[6-(bromomethyl)-4-oxidanylidene-5-phenyl-2H-1,3-oxazin-3-yl]-2-methyl-propanoate

Systemtic Name: (phenylmethyl) 2-[6-(bromomethyl)-4-oxidanylidene-5-phenyl-2H-1,3-oxazin-3-yl]-2-methyl-propanoate Openeye Name: benzyl 2-[6-(bromomethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methyl-propanoate CAS Name: 2-[6-(bromomethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(bromomethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate Traditional Name: 2-[6-(bromomethyl)-4-keto-5-phenyl-2H-1,3-oxazin-3-yl]-2-methyl-propionic acid benzyl ester Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=CC=CC=C1)N2COC(=C(C2=O)C3=CC=CC=C3)CBr

Isomeric SMILES

CC(C)(C(=O)OCC1=CC=CC=C1)N2COC(=C(C2=O)C3=CC=CC=C3)CBr

InChI

InChI=1S/C22H22BrNO4/c1-22(2,21(26)27-14-16-9-5-3-6-10-16)24-15-28-18(13-23)19(20(24)25)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3