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

Systemtic Name: 4-azanyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid Openeye Name: 4-amino-3-[(tert-butoxycarbonylamino)methyl]benzoic acid CAS Name: 4-amino-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-amino-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid Traditional Name: 4-amino-3-[(tert-butoxycarbonylamino)methyl]benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)C(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)C(=O)O)N

InChI

InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-7-9-6-8(11(16)17)4-5-10(9)14/h4-6H,7,14H2,1-3H3,(H,15,18)(H,16,17)