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

Systemtic Name: 1-[(1-methylbenzimidazol-2-yl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-methylbenzimidazol-2-yl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-methyl-2-benzimidazolyl)-(2-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-methylbenzimidazol-2-yl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-methylbenzimidazol-2-yl)-(o-tolyl)methyl]isonipecotic acid Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=NC3=CC=CC=C3N2C)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=NC3=CC=CC=C3N2C)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H25N3O2/c1-15-7-3-4-8-17(15)20(25-13-11-16(12-14-25)22(26)27)21-23-18-9-5-6-10-19(18)24(21)2/h3-10,16,20H,11-14H2,1-2H3,(H,26,27)