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

Systemtic Name: 5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]-1-(4-oxidanyl-4-oxidanylidene-butyl)indole-2-carboxylic acid Openeye Name: 1-(4-hydroxy-4-oxo-butyl)-5-[3-(4-octylphenoxy)-2-oxo-propoxy]indole-2-carboxylic acid CAS Name: 1-(4-hydroxy-4-oxobutyl)-5-[3-(4-octylphenoxy)-2-oxopropoxy]-2-indolecarboxylic acid IUPAC Name: 1-(4-hydroxy-4-oxobutyl)-5-[3-(4-octylphenoxy)-2-oxopropoxy]indole-2-carboxylic acid Traditional Name: 1-(4-hydroxy-4-keto-butyl)-5-[2-keto-3-(4-octylphenoxy)propoxy]indole-2-carboxylic acid Formula: C30H37NO7 MolecularWeight: 523.61728

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H37NO7/c1-2-3-4-5-6-7-9-22-11-13-25(14-12-22)37-20-24(32)21-38-26-15-16-27-23(18-26)19-28(30(35)36)31(27)17-8-10-29(33)34/h11-16,18-19H,2-10,17,20-21H2,1H3,(H,33,34)(H,35,36)