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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-chlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-chlorophenyl)methyl]isonipecotic acid Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Cl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Cl)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20ClNO4/c21-16-3-1-2-14(10-16)19(22-8-6-13(7-9-22)20(23)24)15-4-5-17-18(11-15)26-12-25-17/h1-5,10-11,13,19H,6-9,12H2,(H,23,24)