4-[[2-butyl-4-oxidanylidene-5-(phenylmethyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-4-oxidanylidene-5-(phenylmethyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzoic acid Openeye Name: 4-[(5-benzyl-2-butyl-4-oxo-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid CAS Name: 4-[[2-butyl-4-oxo-5-(phenylmethyl)-3-imidazo[4,5-c]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[(5-benzyl-2-butyl-4-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid Traditional Name: 4-[(5-benzyl-2-butyl-4-keto-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=O)N(C=C2)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=O)N(C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3/c1-2-3-9-22-26-21-14-15-27(16-18-7-5-4-6-8-18)24(29)23(21)28(22)17-19-10-12-20(13-11-19)25(30)31/h4-8,10-15H,2-3,9,16-17H2,1H3,(H,30,31)