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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO4/c21-14-6-4-12(9-15(14)22)19(23-8-2-1-3-16(23)20(24)25)13-5-7-17-18(10-13)27-11-26-17/h4-7,9-10,16,19H,1-3,8,11H2,(H,24,25)