tert-butyl 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-[(2-bromo-5-methoxy-phenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(2-bromo-5-methoxyphenyl)methyl]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-bromo-5-methoxyphenyl)methyl]-3-oxobutanoate Traditional Name: 2-(2-bromo-5-methoxy-benzyl)-3-keto-butyric acid tert-butyl ester Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=C(C=CC(=C1)OC)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(CC1=C(C=CC(=C1)OC)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21BrO4/c1-10(18)13(15(19)21-16(2,3)4)9-11-8-12(20-5)6-7-14(11)17/h6-8,13H,9H2,1-5H3