1-[1,2-bis(1H-benzimidazol-2-yl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,2-bis(1H-benzimidazol-2-yl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,2-bis(1H-benzimidazol-2-yl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,2-bis(1H-benzimidazol-2-yl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,2-bis(1H-benzimidazol-2-yl)ethyl]nipecotic acid Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4)C(=O)O

InChI

InChI=1S/C22H23N5O2/c28-22(29)14-6-5-11-27(13-14)19(21-25-17-9-3-4-10-18(17)26-21)12-20-23-15-7-1-2-8-16(15)24-20/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)(H,25,26)(H,28,29)