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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1N)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-7-8(11(15)16)5-6-9(10(7)14)12(17)18-13(2,3)4/h5-6H,14H2,1-4H3,(H,15,16)