1-[(5-chloranyl-2-methoxy-phenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(1-methyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(1-methylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3/c1-25-18-6-4-3-5-17(18)24-21(25)20(16-13-15(23)7-8-19(16)29-2)26-11-9-14(10-12-26)22(27)28/h3-8,13-14,20H,9-12H2,1-2H3,(H,27,28)