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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)propyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)propyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(1,3-benzodioxol-5-yl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)propyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)propyl]isonipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCO2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC(C1=CC2=C(C=C1)OCO2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-2-13(17-7-5-11(6-8-17)16(18)19)12-3-4-14-15(9-12)21-10-20-14/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,18,19)