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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)pentyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)pentyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(1,3-benzodioxol-5-yl)pentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)pentyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)pentyl]isonipecotic acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-2-3-4-15(19-9-7-13(8-10-19)18(20)21)14-5-6-16-17(11-14)23-12-22-16/h5-6,11,13,15H,2-4,7-10,12H2,1H3,(H,20,21)