3-oxidanyl-4-[3-oxidanyl-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]benzoic acid

Systemtic Name: 3-oxidanyl-4-[3-oxidanyl-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]benzoic acid Openeye Name: 3-hydroxy-4-[3-hydroxy-3-oxo-2-[(2-phenylacetyl)amino]propyl]benzoic acid CAS Name: 3-hydroxy-4-[3-hydroxy-3-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]benzoic acid IUPAC Name: 3-hydroxy-4-[3-hydroxy-3-oxo-2-[(2-phenylacetyl)amino]propyl]benzoic acid Traditional Name: 3-hydroxy-4-[3-hydroxy-3-keto-2-[(2-phenylacetyl)amino]propyl]benzoic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CC2=C(C=C(C=C2)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(CC2=C(C=C(C=C2)C(=O)O)O)C(=O)O

InChI

InChI=1S/C18H17NO6/c20-15-10-13(17(22)23)7-6-12(15)9-14(18(24)25)19-16(21)8-11-4-2-1-3-5-11/h1-7,10,14,20H,8-9H2,(H,19,21)(H,22,23)(H,24,25)