(2-phenyl-1,3-oxazol-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (2-phenyloxazol-4-yl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (2-phenyloxazol-4-yl)methyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=COC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=COC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO5/c1-26-19-9-7-15(22)11-17(19)18(24)8-10-20(25)27-12-16-13-28-21(23-16)14-5-3-2-4-6-14/h2-7,9,11,13H,8,10,12H2,1H3