1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxyphenyl)methyl]pipecolinic acid Formula: C27H27NO5 MolecularWeight: 445.50698

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27NO5/c29-27(30)23-8-4-5-15-28(23)26(21-11-14-24-25(16-21)33-18-32-24)20-9-12-22(13-10-20)31-17-19-6-2-1-3-7-19/h1-3,6-7,9-14,16,23,26H,4-5,8,15,17-18H2,(H,29,30)