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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

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