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

Systemtic Name: 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indazole-5-carboxylic acid Openeye Name: 1-[3-(4-octylphenoxy)-2-oxo-propyl]indazole-5-carboxylic acid CAS Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]-5-indazolecarboxylic acid IUPAC Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]indazole-5-carboxylic acid Traditional Name: 1-[2-keto-3-(4-octylphenoxy)propyl]indazole-5-carboxylic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C3=C(C=C(C=C3)C(=O)O)C=N2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C3=C(C=C(C=C3)C(=O)O)C=N2

InChI

InChI=1S/C25H30N2O4/c1-2-3-4-5-6-7-8-19-9-12-23(13-10-19)31-18-22(28)17-27-24-14-11-20(25(29)30)15-21(24)16-26-27/h9-16H,2-8,17-18H2,1H3,(H,29,30)