1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-piperidine-4-carboxylic acid CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-4-carboxylic acid Traditional Name: 1-homopiperonyl-4-methyl-isonipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)CCC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1(CCN(CC1)CCC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-16(15(18)19)5-8-17(9-6-16)7-4-12-2-3-13-14(10-12)21-11-20-13/h2-3,10H,4-9,11H2,1H3,(H,18,19)