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

Systemtic Name: 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-4-carboxylic acid Openeye Name: 1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-4-carboxylic acid CAS Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]-4-indolecarboxylic acid IUPAC Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-4-carboxylic acid Traditional Name: 1-[2-keto-3-(4-octylphenoxy)propyl]indole-4-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=C(C=CC=C32)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-9-20-12-14-22(15-13-20)31-19-21(28)18-27-17-16-23-24(26(29)30)10-8-11-25(23)27/h8,10-17H,2-7,9,18-19H2,1H3,(H,29,30)