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

Systemtic Name: 3-cyano-1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-5-carboxylic acid Openeye Name: 3-cyano-1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-5-carboxylic acid CAS Name: 3-cyano-1-[3-(4-octylphenoxy)-2-oxopropyl]-5-indolecarboxylic acid IUPAC Name: 3-cyano-1-[3-(4-octylphenoxy)-2-oxopropyl]indole-5-carboxylic acid Traditional Name: 3-cyano-1-[2-keto-3-(4-octylphenoxy)propyl]indole-5-carboxylic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)18-29-17-22(16-28)25-15-21(27(31)32)11-14-26(25)29/h9-15,17H,2-8,18-19H2,1H3,(H,31,32)