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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C(=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)21-12-14-27(15-13-21)25(22-10-11-23-24(16-22)31-17-30-23)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-11,16,21,25H,12-15,17H2,(H,28,29)