1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-6-carboxylic acid

Systemtic Name: 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-6-carboxylic acid Openeye Name: 1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-6-carboxylic acid CAS Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]-6-indolecarboxylic acid IUPAC Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-6-carboxylic acid Traditional Name: 1-[2-keto-3-(4-octylphenoxy)propyl]indole-6-carboxylic acid Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC3=C2C=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC3=C2C=C(C=C3)C(=O)O

InChI

InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-13-24(14-10-20)31-19-23(28)18-27-16-15-21-11-12-22(26(29)30)17-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)