5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]-1H-indole-2-carboxylic acid Openeye Name: 5-[3-(4-octylphenoxy)-2-oxo-propoxy]-1H-indole-2-carboxylic acid CAS Name: 5-[3-(4-octylphenoxy)-2-oxopropoxy]-1H-indole-2-carboxylic acid IUPAC Name: 5-[3-(4-octylphenoxy)-2-oxopropoxy]-1H-indole-2-carboxylic acid Traditional Name: 5-[2-keto-3-(4-octylphenoxy)propoxy]-1H-indole-2-carboxylic acid Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO5/c1-2-3-4-5-6-7-8-19-9-11-22(12-10-19)31-17-21(28)18-32-23-13-14-24-20(15-23)16-25(27-24)26(29)30/h9-16,27H,2-8,17-18H2,1H3,(H,29,30)