5-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-3-yl)methyl]-2-phenyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-3-yl)methyl]-2-phenyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-3-yl)methyl]-2-phenyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[(7-methyl-2-propyl-3-imidazo[4,5-b]pyridinyl)methyl]-2-phenyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-3-yl)methyl]-2-phenyl-1,3-benzodioxole-2-carboxylic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CN=C2N1CC3=CC4=C(C=C3)OC(O4)(C5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CCCC1=NC2=C(C=CN=C2N1CC3=CC4=C(C=C3)OC(O4)(C5=CC=CC=C5)C(=O)O)C

InChI

InChI=1S/C25H23N3O4/c1-3-7-21-27-22-16(2)12-13-26-23(22)28(21)15-17-10-11-19-20(14-17)32-25(31-19,24(29)30)18-8-5-4-6-9-18/h4-6,8-14H,3,7,15H2,1-2H3,(H,29,30)