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

Systemtic Name: 1-[(3-bromophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(3-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(3-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=C2)Br)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)Br)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

InChI

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