4-[(2-methylpropanoylamino)methyl]benzoate

Systemtic Name: 4-[(2-methylpropanoylamino)methyl]benzoate Openeye Name: 4-[(2-methylpropanoylamino)methyl]benzoate CAS Name: 4-[[(2-methyl-1-oxopropyl)amino]methyl]benzoate IUPAC Name: 4-[(2-methylpropanoylamino)methyl]benzoate Traditional Name: 4-[(isobutyrylamino)methyl]benzoate Formula: C12H14NO3- MolecularWeight: 220.24446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H15NO3/c1-8(2)11(14)13-7-9-3-5-10(6-4-9)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/p-1