methyl 4-[[(2-bromanyl-3-methyl-butanoyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-bromanyl-3-methyl-butanoyl)amino]methyl]benzoate Openeye Name: methyl 4-[[(2-bromo-3-methyl-butanoyl)amino]methyl]benzoate CAS Name: 4-[[(2-bromo-3-methyl-1-oxobutyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-bromo-3-methylbutanoyl)amino]methyl]benzoate Traditional Name: 4-[[(2-bromo-3-methyl-butanoyl)amino]methyl]benzoic acid methyl ester Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)OC)Br

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)OC)Br

InChI

InChI=1S/C14H18BrNO3/c1-9(2)12(15)13(17)16-8-10-4-6-11(7-5-10)14(18)19-3/h4-7,9,12H,8H2,1-3H3,(H,16,17)