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

Systemtic Name: 2-[4-[oxidanyl(piperidin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[hydroxy(4-piperidyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[hydroxy(4-piperidinyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-[hydroxy(piperidin-4-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-[hydroxy(4-piperidyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)O

Isomeric SMILES

C1CNCCC1C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)O

InChI

InChI=1S/C20H21N3O3/c24-18(13-7-9-21-10-8-13)12-1-3-14(4-2-12)19-22-16-6-5-15(20(25)26)11-17(16)23-19/h1-6,11,13,18,21,24H,7-10H2,(H,22,23)(H,25,26)