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

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(7-chloro-1,3-benzodioxole-5-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(7-chloro-1,3-benzodioxole-5-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(7-chloropiperonyloyl)nipecotic acid Formula: C14H14ClNO5 MolecularWeight: 311.71766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO5/c15-10-4-9(5-11-12(10)21-7-20-11)13(17)16-3-1-2-8(6-16)14(18)19/h4-5,8H,1-3,6-7H2,(H,18,19)