3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-3-methyl-benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)OC(C)(C)C

InChI

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