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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(1-ethyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(1-ethylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C22H23Cl2N3O2 MolecularWeight: 432.34292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C3=C(C=C(C=C3)Cl)Cl)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C(C3=C(C=C(C=C3)Cl)Cl)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23Cl2N3O2/c1-2-27-19-6-4-3-5-18(19)25-21(27)20(16-8-7-15(23)13-17(16)24)26-11-9-14(10-12-26)22(28)29/h3-8,13-14,20H,2,9-12H2,1H3,(H,28,29)