4-[(2-methylpropanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-methylpropanoylamino)methyl]benzoic acid Openeye Name: 4-[(2-methylpropanoylamino)methyl]benzoic acid CAS Name: 4-[[(2-methyl-1-oxopropyl)amino]methyl]benzoic acid IUPAC Name: 4-[(2-methylpropanoylamino)methyl]benzoic acid Traditional Name: 4-[(isobutyrylamino)methyl]benzoic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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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)