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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]pipecolinic acid Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4/c28-26(29)22-8-4-5-15-27(22)25(21-13-14-23-24(16-21)31-17-30-23)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-3,6-7,9-14,16,22,25H,4-5,8,15,17H2,(H,28,29)