1-[(2-bromophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(2-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(2-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=CC=C2OCC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

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