1-[(2-bromophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(2-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(2-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(2-bromophenyl)methyl]nipecotic acid Formula: C26H26BrNO3 MolecularWeight: 480.39354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=CC=C4Br)C(=O)O

InChI

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