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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2,4-dichlorophenyl)methyl]nipecotic acid Formula: C20H19Cl2NO4 MolecularWeight: 408.27516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H19Cl2NO4/c21-14-4-5-15(16(22)9-14)19(23-7-1-2-13(10-23)20(24)25)12-3-6-17-18(8-12)27-11-26-17/h3-6,8-9,13,19H,1-2,7,10-11H2,(H,24,25)