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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2=C(C=C1)OCO2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCCCC(C1=CC2=C(C=C1)OCO2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H25NO4/c1-2-3-6-15(19-9-4-5-14(11-19)18(20)21)13-7-8-16-17(10-13)23-12-22-16/h7-8,10,14-15H,2-6,9,11-12H2,1H3,(H,20,21)