ethyl 1-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate; hydron; chloride

Systemtic Name: ethyl 1-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate; hydron; chloride Openeye Name: ethyl 1-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]piperidine-4-carboxylate; hydron; chloride CAS Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-piperidinecarboxylic acid ethyl ester; hydron; chloride IUPAC Name: ethyl 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate; hydron; chloride Traditional Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]isonipecotic acid ethyl ester; hydron; chloride Formula: C21H34ClNO4 MolecularWeight: 399.95196

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCOC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)C(C)(C)C)O.[Cl-]

Isomeric SMILES

[H+].CCOC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)C(C)(C)C)O.[Cl-]

InChI

InChI=1S/C21H33NO4.ClH/c1-5-25-20(24)16-10-12-22(13-11-16)14-18(23)15-26-19-8-6-17(7-9-19)21(2,3)4;/h6-9,16,18,23H,5,10-15H2,1-4H3;1H