2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Systemtic Name: 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-methyl-benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-8-9(11(15)16)6-5-7-10(8)14-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)