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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]pipecolinic acid Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25NO5/c28-26(29)22-11-4-5-14-27(22)25(19-12-13-23-24(16-19)31-17-30-23)18-7-6-10-21(15-18)32-20-8-2-1-3-9-20/h1-3,6-10,12-13,15-16,22,25H,4-5,11,14,17H2,(H,28,29)