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

Systemtic Name: 1-[(1-ethylbenzimidazol-2-yl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-ethylbenzimidazol-2-yl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-ethyl-2-benzimidazolyl)-(4-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-ethylbenzimidazol-2-yl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-ethylbenzimidazol-2-yl)-(4-fluorophenyl)methyl]isonipecotic acid Formula: C22H24FN3O2 MolecularWeight: 381.443263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O2/c1-2-26-19-6-4-3-5-18(19)24-21(26)20(15-7-9-17(23)10-8-15)25-13-11-16(12-14-25)22(27)28/h3-10,16,20H,2,11-14H2,1H3,(H,27,28)