methyl 4-bromanyl-3-[(2,2-dimethylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 4-bromanyl-3-[(2,2-dimethylpropanoylamino)methyl]benzoate Openeye Name: methyl 4-bromo-3-[(2,2-dimethylpropanoylamino)methyl]benzoate CAS Name: 4-bromo-3-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-bromo-3-[(2,2-dimethylpropanoylamino)methyl]benzoate Traditional Name: 4-bromo-3-[(pivaloylamino)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=C(C=CC(=C1)C(=O)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3/c1-14(2,3)13(18)16-8-10-7-9(12(17)19-4)5-6-11(10)15/h5-7H,8H2,1-4H3,(H,16,18)