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

Systemtic Name: 2-[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazo[4,5-b]pyridin-5-yl]benzoic acid Openeye Name: 2-[1-(1-carboxyheptyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid CAS Name: 2-[1-(1-hydroxy-1-oxooctan-2-yl)-5-imidazo[4,5-b]pyridinyl]benzoic acid IUPAC Name: 2-[1-(1-hydroxy-1-oxooctan-2-yl)imidazo[4,5-b]pyridin-5-yl]benzoic acid Traditional Name: 2-[1-(1-carboxyheptyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-2-3-4-5-10-18(21(27)28)24-13-22-19-17(24)12-11-16(23-19)14-8-6-7-9-15(14)20(25)26/h6-9,11-13,18H,2-5,10H2,1H3,(H,25,26)(H,27,28)