1-[(3-bromophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(1-ethyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(1-ethylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C22H24BrN3O2 MolecularWeight: 442.34886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O2/c1-2-26-19-9-4-3-8-18(19)24-21(26)20(16-6-5-7-17(23)14-16)25-12-10-15(11-13-25)22(27)28/h3-9,14-15,20H,2,10-13H2,1H3,(H,27,28)