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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (3-methylisoxazol-5-yl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (3-methylisoxazol-5-yl)methyl ester Formula: C16H16BrNO5 MolecularWeight: 382.20594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=NOC(=C1)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C16H16BrNO5/c1-10-7-12(23-18-10)9-22-16(20)6-4-14(19)13-8-11(17)3-5-15(13)21-2/h3,5,7-8H,4,6,9H2,1-2H3