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

Systemtic Name: 1-[(3-bromophenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(1-methyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(1-methylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2/c1-24-18-8-3-2-7-17(18)23-20(24)19(15-5-4-6-16(22)13-15)25-11-9-14(10-12-25)21(26)27/h2-8,13-14,19H,9-12H2,1H3,(H,26,27)