1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-bromophenyl)methyl]isonipecotic acid Formula: C26H26BrNO3 MolecularWeight: 480.39354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H26BrNO3/c27-23-8-4-7-22(17-23)25(28-15-13-21(14-16-28)26(29)30)20-9-11-24(12-10-20)31-18-19-5-2-1-3-6-19/h1-12,17,21,25H,13-16,18H2,(H,29,30)