5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[3-benzyloxy-2-(tert-butoxycarbonylamino)-3-oxo-propyl]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-phenylmethoxypropyl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropyl]benzoic acid Traditional Name: 5-[3-benzoxy-2-(tert-butoxycarbonylamino)-3-keto-propyl]-2-hydroxy-benzoic acid Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7/c1-22(2,3)30-21(28)23-17(20(27)29-13-14-7-5-4-6-8-14)12-15-9-10-18(24)16(11-15)19(25)26/h4-11,17,24H,12-13H2,1-3H3,(H,23,28)(H,25,26)