4-[5-azanyl-6-oxidanyl-6-oxidanylidene-5-(phenoxymethyl)hexoxy]benzoic acid

Systemtic Name: 4-[5-azanyl-6-oxidanyl-6-oxidanylidene-5-(phenoxymethyl)hexoxy]benzoic acid Openeye Name: 4-[5-amino-6-hydroxy-6-oxo-5-(phenoxymethyl)hexoxy]benzoic acid CAS Name: 4-[5-amino-6-hydroxy-6-oxo-5-(phenoxymethyl)hexoxy]benzoic acid IUPAC Name: 4-[5-amino-6-hydroxy-6-oxo-5-(phenoxymethyl)hexoxy]benzoic acid Traditional Name: 4-[5-amino-6-hydroxy-6-keto-5-(phenoxymethyl)hexoxy]benzoic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CCCCOC2=CC=C(C=C2)C(=O)O)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)OCC(CCCCOC2=CC=C(C=C2)C(=O)O)(C(=O)O)N

InChI

InChI=1S/C20H23NO6/c21-20(19(24)25,14-27-16-6-2-1-3-7-16)12-4-5-13-26-17-10-8-15(9-11-17)18(22)23/h1-3,6-11H,4-5,12-14,21H2,(H,22,23)(H,24,25)