2-[1-(1-ethoxy-1-oxidanylidene-octan-2-yl)imidazo[4,5-b]pyridin-5-yl]benzoic acid

Systemtic Name: 2-[1-(1-ethoxy-1-oxidanylidene-octan-2-yl)imidazo[4,5-b]pyridin-5-yl]benzoic acid Openeye Name: 2-[1-(1-ethoxycarbonylheptyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid CAS Name: 2-[1-(1-ethoxy-1-oxooctan-2-yl)-5-imidazo[4,5-b]pyridinyl]benzoic acid IUPAC Name: 2-[1-(1-ethoxy-1-oxooctan-2-yl)imidazo[4,5-b]pyridin-5-yl]benzoic acid Traditional Name: 2-[1-(1-carbethoxyheptyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)N1C=NC2=C1C=CC(=N2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)OCC)N1C=NC2=C1C=CC(=N2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H27N3O4/c1-3-5-6-7-12-20(23(29)30-4-2)26-15-24-21-19(26)14-13-18(25-21)16-10-8-9-11-17(16)22(27)28/h8-11,13-15,20H,3-7,12H2,1-2H3,(H,27,28)