1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-bromophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-bromophenyl)methyl]pipecolinic acid Formula: C26H26BrNO3 MolecularWeight: 480.39354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br

InChI

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