1-[2-(2-tert-butyl-4-ethyl-phenoxy)ethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-(2-tert-butyl-4-ethyl-phenoxy)ethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-(2-tert-butyl-4-ethyl-phenoxy)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-tert-butyl-4-ethylphenoxy)-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-tert-butyl-4-ethyl-phenoxy)acetyl]isonipecotate Formula: C20H28NO4- MolecularWeight: 346.44062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C20H29NO4/c1-5-14-6-7-17(16(12-14)20(2,3)4)25-13-18(22)21-10-8-15(9-11-21)19(23)24/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,23,24)/p-1