2-[4-[oxan-4-yl(oxidanyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[oxan-4-yl(oxidanyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[hydroxy(tetrahydropyran-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[hydroxy(4-oxanyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-[hydroxy(oxan-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-[hydroxy(tetrahydropyran-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)O

Isomeric SMILES

C1COCCC1C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)O

InChI

InChI=1S/C20H20N2O4/c23-18(13-7-9-26-10-8-13)12-1-3-14(4-2-12)19-21-16-6-5-15(20(24)25)11-17(16)22-19/h1-6,11,13,18,23H,7-10H2,(H,21,22)(H,24,25)