4-[2-[(1-cyclopropyl-2-oxidanylidene-imidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanoic acid

Systemtic Name: 4-[2-[(1-cyclopropyl-2-oxidanylidene-imidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanoic acid Openeye Name: 4-[2-[(1-cyclopropyl-2-oxo-imidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanoic acid CAS Name: 4-[2-[(1-cyclopropyl-2-oxo-3-imidazo[4,5-c]pyridinyl)methyl]-1-benzimidazolyl]butanoic acid IUPAC Name: 4-[2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanoic acid Traditional Name: 4-[2-[(1-cyclopropyl-2-keto-imidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butyric acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=NC=C3)N(C2=O)CC4=NC5=CC=CC=C5N4CCCC(=O)O

Isomeric SMILES

C1CC1N2C3=C(C=NC=C3)N(C2=O)CC4=NC5=CC=CC=C5N4CCCC(=O)O

InChI

InChI=1S/C21H21N5O3/c27-20(28)6-3-11-24-16-5-2-1-4-15(16)23-19(24)13-25-18-12-22-10-9-17(18)26(21(25)29)14-7-8-14/h1-2,4-5,9-10,12,14H,3,6-8,11,13H2,(H,27,28)