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

Systemtic Name: 1-hexyl-5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]indole-2-carboxylic acid Openeye Name: 1-hexyl-5-[3-(4-octylphenoxy)-2-oxo-propoxy]indole-2-carboxylic acid CAS Name: 1-hexyl-5-[3-(4-octylphenoxy)-2-oxopropoxy]-2-indolecarboxylic acid IUPAC Name: 1-hexyl-5-[3-(4-octylphenoxy)-2-oxopropoxy]indole-2-carboxylic acid Traditional Name: 1-hexyl-5-[2-keto-3-(4-octylphenoxy)propoxy]indole-2-carboxylic acid Formula: C32H43NO5 MolecularWeight: 521.68752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H43NO5/c1-3-5-7-9-10-11-13-25-14-16-28(17-15-25)37-23-27(34)24-38-29-18-19-30-26(21-29)22-31(32(35)36)33(30)20-12-8-6-4-2/h14-19,21-22H,3-13,20,23-24H2,1-2H3,(H,35,36)