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

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (5-phenyloxazol-2-yl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (5-phenyloxazol-2-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=NC=C(O2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=NC=C(O2)C3=CC=CC=C3

InChI

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