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1-[2-(2,3,6-trimethylphenoxy)ethanoyl]piperidine-4-carboxylic acid

1-[2-(2,3,6-trimethylphenoxy)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name:1-[2-(2,3,6-trimethylphenoxy)ethanoyl]piperidine-4-carboxylic acid
Openeye Name:1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxylic acid
CAS Name:1-[1-oxo-2-(2,3,6-trimethylphenoxy)ethyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxylic acid
Traditional Name:1-[2-(2,3,6-trimethylphenoxy)acetyl]isonipecotic acid
Formula: C17H23NO4
MolecularWeight: 305.36882
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(=O)N2CCC(CC2)C(=O)O)C


Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(=O)N2CCC(CC2)C(=O)O)C


InChI

InChI=1S/C17H23NO4/c1-11-4-5-12(2)16(13(11)3)22-10-15(19)18-8-6-14(7-9-18)17(20)21/h4-5,14H,6-10H2,1-3H3,(H,20,21)


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