2-ethyl-7-methyl-3-[[4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)-3-propyl-phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 2-ethyl-7-methyl-3-[[4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)-3-propyl-phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 2-ethyl-3-[[4-(2-hydroxy-2-oxo-1-phenyl-ethoxy)-3-propyl-phenyl]methyl]-7-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 2-ethyl-3-[[4-(2-hydroxy-2-oxo-1-phenylethoxy)-3-propylphenyl]methyl]-7-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 2-ethyl-3-[[4-(2-hydroxy-2-oxo-1-phenylethoxy)-3-propylphenyl]methyl]-7-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 2-ethyl-3-[4-(2-hydroxy-2-keto-1-phenyl-ethoxy)-3-propyl-benzyl]-7-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CN2C(=NC3=C2N=C(C=C3C)C(=O)O)CC)OC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)CN2C(=NC3=C2N=C(C=C3C)C(=O)O)CC)OC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H29N3O5/c1-4-9-20-15-18(12-13-22(20)36-25(28(34)35)19-10-7-6-8-11-19)16-31-23(5-2)30-24-17(3)14-21(27(32)33)29-26(24)31/h6-8,10-15,25H,4-5,9,16H2,1-3H3,(H,32,33)(H,34,35)