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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(1-ethyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(1-ethylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O3/c1-3-27-19-7-5-4-6-18(19)25-22(27)21(17-14-16(24)8-9-20(17)30-2)26-12-10-15(11-13-26)23(28)29/h4-9,14-15,21H,3,10-13H2,1-2H3,(H,28,29)