1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(2,2-diphenyl-1,3-benzodioxole-5-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2,2-diphenyl-1,3-benzodioxole-5-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(2,2-diphenylpiperonyloyl)nipecotic acid Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H23NO5/c28-24(27-15-7-8-19(17-27)25(29)30)18-13-14-22-23(16-18)32-26(31-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-14,16,19H,7-8,15,17H2,(H,29,30)