3-(aminomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC=C1CN)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC=C1CN)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)10-8(7-14)5-4-6-9(10)11(15)16/h4-6H,7,14H2,1-3H3,(H,15,16)