1-(carboxymethyl)-5-[3-(4-octylphenoxy)-2-oxidanyl-propoxy]indole-2-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-5-[3-(4-octylphenoxy)-2-oxidanyl-propoxy]indole-2-carboxylic acid Openeye Name: 1-(carboxymethyl)-5-[2-hydroxy-3-(4-octylphenoxy)propoxy]indole-2-carboxylic acid CAS Name: 1-(carboxymethyl)-5-[2-hydroxy-3-(4-octylphenoxy)propoxy]-2-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-5-[2-hydroxy-3-(4-octylphenoxy)propoxy]indole-2-carboxylic acid Traditional Name: 1-(carboxymethyl)-5-[2-hydroxy-3-(4-octylphenoxy)propoxy]indole-2-carboxylic acid Formula: C28H35NO7 MolecularWeight: 497.58

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC(=O)O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC(=O)O)O

InChI

InChI=1S/C28H35NO7/c1-2-3-4-5-6-7-8-20-9-11-23(12-10-20)35-18-22(30)19-36-24-13-14-25-21(15-24)16-26(28(33)34)29(25)17-27(31)32/h9-16,22,30H,2-8,17-19H2,1H3,(H,31,32)(H,33,34)