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

Systemtic Name: 3-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]benzimidazole-5-carboxylic acid Openeye Name: 3-[3-(4-octylphenoxy)-2-oxo-propyl]benzimidazole-5-carboxylic acid CAS Name: 3-[3-(4-octylphenoxy)-2-oxopropyl]-5-benzimidazolecarboxylic acid IUPAC Name: 3-[3-(4-octylphenoxy)-2-oxopropyl]benzimidazole-5-carboxylic acid Traditional Name: 3-[2-keto-3-(4-octylphenoxy)propyl]benzimidazole-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)CN2C=NC3=C2C=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=NC3=C2C=C(C=C3)C(=O)O

InChI

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