1-[2-(2,4-ditert-butylphenoxy)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(2,4-ditert-butylphenoxy)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2,4-ditert-butylphenoxy)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2,4-ditert-butylphenoxy)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,4-ditert-butylphenoxy)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2,4-ditert-butylphenoxy)acetyl]isonipecotic acid Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO4/c1-21(2,3)16-7-8-18(17(13-16)22(4,5)6)27-14-19(24)23-11-9-15(10-12-23)20(25)26/h7-8,13,15H,9-12,14H2,1-6H3,(H,25,26)