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

Systemtic Name: 1-[(3-bromophenyl)-[1-(phenylmethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylimidazol-2-yl)-(3-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-[1-(phenylmethyl)-2-imidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylimidazol-2-yl)-(3-bromophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylimidazol-2-yl)-(3-bromophenyl)methyl]isonipecotic acid Formula: C23H24BrN3O2 MolecularWeight: 454.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C23H24BrN3O2/c24-20-8-4-7-19(15-20)21(26-12-9-18(10-13-26)23(28)29)22-25-11-14-27(22)16-17-5-2-1-3-6-17/h1-8,11,14-15,18,21H,9-10,12-13,16H2,(H,28,29)