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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(1-methyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(1-methylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C21H21Cl2N3O2 MolecularWeight: 418.31634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C3=C(C=C(C=C3)Cl)Cl)N4CCC(CC4)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C3=C(C=C(C=C3)Cl)Cl)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H21Cl2N3O2/c1-25-18-5-3-2-4-17(18)24-20(25)19(15-7-6-14(22)12-16(15)23)26-10-8-13(9-11-26)21(27)28/h2-7,12-13,19H,8-11H2,1H3,(H,27,28)