4-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-phenylmethoxycarbonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-phenylmethoxycarbonyl-amino]methyl]benzoic acid Openeye Name: 4-[[benzyloxycarbonyl-(2-tert-butoxy-2-oxo-ethyl)amino]methyl]benzoic acid CAS Name: 4-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-phenylmethoxycarbonylamino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-phenylmethoxycarbonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-tert-butoxy-2-keto-ethyl)-carbobenzoxy-amino]methyl]benzoic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(CC1=CC=C(C=C1)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN(CC1=CC=C(C=C1)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO6/c1-22(2,3)29-19(24)14-23(13-16-9-11-18(12-10-16)20(25)26)21(27)28-15-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H,25,26)