1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]nipecotic acid Formula: C14H16ClNO4 MolecularWeight: 297.73414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C(=C2)Cl)OCO3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C(=C2)Cl)OCO3)C(=O)O

InChI

InChI=1S/C14H16ClNO4/c15-11-4-9(5-12-13(11)20-8-19-12)6-16-3-1-2-10(7-16)14(17)18/h4-5,10H,1-3,6-8H2,(H,17,18)