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

Systemtic Name: 5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]-1-propyl-indole-2-carboxylic acid Openeye Name: 5-[3-(4-octylphenoxy)-2-oxo-propoxy]-1-propyl-indole-2-carboxylic acid CAS Name: 5-[3-(4-octylphenoxy)-2-oxopropoxy]-1-propyl-2-indolecarboxylic acid IUPAC Name: 5-[3-(4-octylphenoxy)-2-oxopropoxy]-1-propylindole-2-carboxylic acid Traditional Name: 5-[2-keto-3-(4-octylphenoxy)propoxy]-1-propyl-indole-2-carboxylic acid Formula: C29H37NO5 MolecularWeight: 479.60778

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO5/c1-3-5-6-7-8-9-10-22-11-13-25(14-12-22)34-20-24(31)21-35-26-15-16-27-23(18-26)19-28(29(32)33)30(27)17-4-2/h11-16,18-19H,3-10,17,20-21H2,1-2H3,(H,32,33)