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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO4/c21-14-2-3-15(16(22)10-14)19(23-7-5-12(6-8-23)20(24)25)13-1-4-17-18(9-13)27-11-26-17/h1-4,9-10,12,19H,5-8,11H2,(H,24,25)