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

Systemtic Name: 1-[(3-bromophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3-bromophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

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