2-(hydroxymethyl)-5-oxidanyl-4-[3-oxidanyl-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]benzoic acid

Systemtic Name: 2-(hydroxymethyl)-5-oxidanyl-4-[3-oxidanyl-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]benzoic acid Openeye Name: 5-hydroxy-2-(hydroxymethyl)-4-[3-hydroxy-3-oxo-2-[(2-phenylacetyl)amino]propyl]benzoic acid CAS Name: 5-hydroxy-2-(hydroxymethyl)-4-[3-hydroxy-3-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]benzoic acid IUPAC Name: 5-hydroxy-2-(hydroxymethyl)-4-[3-hydroxy-3-oxo-2-[(2-phenylacetyl)amino]propyl]benzoic acid Traditional Name: 5-hydroxy-4-[3-hydroxy-3-keto-2-[(2-phenylacetyl)amino]propyl]-2-methylol-benzoic acid Formula: C19H19NO7 MolecularWeight: 373.35666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7/c21-10-13-7-12(16(22)9-14(13)18(24)25)8-15(19(26)27)20-17(23)6-11-4-2-1-3-5-11/h1-5,7,9,15,21-22H,6,8,10H2,(H,20,23)(H,24,25)(H,26,27)