3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

Systemtic Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Openeye Name: 3-[(tert-butoxycarbonylamino)methyl]benzoate CAS Name: 3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoate IUPAC Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C(=O)[O-]

InChI

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