3-[(4-octoxyphenoxy)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[(4-octoxyphenoxy)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-[(4-octoxyphenoxy)carbonylamino]benzoic acid CAS Name: 2-hydroxy-3-[[(4-octoxyphenoxy)-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-[(4-octoxyphenoxy)carbonylamino]benzoic acid Traditional Name: 2-hydroxy-3-[(4-octoxyphenoxy)carbonylamino]benzoic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)NC2=CC=CC(=C2O)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)NC2=CC=CC(=C2O)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-2-3-4-5-6-7-15-28-16-11-13-17(14-12-16)29-22(27)23-19-10-8-9-18(20(19)24)21(25)26/h8-14,24H,2-7,15H2,1H3,(H,23,27)(H,25,26)