2-[(2,2-dimethyl-3-oxidanylidene-3-phenylmethoxy-propoxy)carbonylamino]benzoic acid

Systemtic Name: 2-[(2,2-dimethyl-3-oxidanylidene-3-phenylmethoxy-propoxy)carbonylamino]benzoic acid Openeye Name: 2-[(3-benzyloxy-2,2-dimethyl-3-oxo-propoxy)carbonylamino]benzoic acid CAS Name: 2-[[(2,2-dimethyl-3-oxo-3-phenylmethoxypropoxy)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(2,2-dimethyl-3-oxo-3-phenylmethoxypropoxy)carbonylamino]benzoic acid Traditional Name: 2-[(3-benzoxy-3-keto-2,2-dimethyl-propoxy)carbonylamino]benzoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)NC1=CC=CC=C1C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(COC(=O)NC1=CC=CC=C1C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21NO6/c1-20(2,18(24)26-12-14-8-4-3-5-9-14)13-27-19(25)21-16-11-7-6-10-15(16)17(22)23/h3-11H,12-13H2,1-2H3,(H,21,25)(H,22,23)