3-[[2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]methyl]benzoic acid Openeye Name: 3-[[2-(tert-butoxycarbonylamino)-2-cyano-ethoxy]methyl]benzoic acid CAS Name: 3-[[2-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]methyl]benzoic acid IUPAC Name: 3-[[2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]methyl]benzoic acid Traditional Name: 3-[[2-(tert-butoxycarbonylamino)-2-cyano-ethoxy]methyl]benzoic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC(=C1)C(=O)O)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(COCC1=CC=CC(=C1)C(=O)O)C#N

InChI

InChI=1S/C16H20N2O5/c1-16(2,3)23-15(21)18-13(8-17)10-22-9-11-5-4-6-12(7-11)14(19)20/h4-7,13H,9-10H2,1-3H3,(H,18,21)(H,19,20)