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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)O

InChI

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