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

Systemtic Name: 1-methyl-5-[3-(4-octylphenoxy)-2-oxidanyl-propoxy]indole-2-carboxylic acid Openeye Name: 5-[2-hydroxy-3-(4-octylphenoxy)propoxy]-1-methyl-indole-2-carboxylic acid CAS Name: 5-[2-hydroxy-3-(4-octylphenoxy)propoxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 5-[2-hydroxy-3-(4-octylphenoxy)propoxy]-1-methylindole-2-carboxylic acid Traditional Name: 5-[2-hydroxy-3-(4-octylphenoxy)propoxy]-1-methyl-indole-2-carboxylic acid Formula: C27H35NO5 MolecularWeight: 453.5705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO5/c1-3-4-5-6-7-8-9-20-10-12-23(13-11-20)32-18-22(29)19-33-24-14-15-25-21(16-24)17-26(27(30)31)28(25)2/h10-17,22,29H,3-9,18-19H2,1-2H3,(H,30,31)