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

Systemtic Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)O

InChI

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