1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(o-tolylmethyl)benzimidazol-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[1-[(2-methylphenyl)methyl]-2-benzimidazolyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(2-methylbenzyl)benzimidazol-2-yl]isonipecotic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H23N3O2/c1-15-6-2-3-7-17(15)14-24-19-9-5-4-8-18(19)22-21(24)23-12-10-16(11-13-23)20(25)26/h2-9,16H,10-14H2,1H3,(H,25,26)