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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3,4-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=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

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