3-(aminomethyl)-4-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid

Systemtic Name: 3-(aminomethyl)-4-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Openeye Name: 3-(aminomethyl)-2-tert-butoxycarbonyl-4-chloro-benzoic acid CAS Name: 3-(aminomethyl)-4-chloro-2-[(2-methylpropan-2-yl)oxy-oxomethyl]benzoic acid IUPAC Name: 3-(aminomethyl)-4-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Traditional Name: 3-(aminomethyl)-2-tert-butoxycarbonyl-4-chloro-benzoic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)10-7(11(16)17)4-5-9(14)8(10)6-15/h4-5H,6,15H2,1-3H3,(H,16,17)