ethyl 1-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 1-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 1-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperidine-4-carboxylate hydrochloride CAS Name: 1-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate hydrochloride Traditional Name: 1-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]isonipecotic acid ethyl ester hydrochloride Formula: C22H36ClNO5 MolecularWeight: 429.97794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O.Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O.Cl

InChI

InChI=1S/C22H35NO5.ClH/c1-6-27-21(25)16-9-11-23(12-10-16)14-17(24)15-28-20-8-7-18(26-5)13-19(20)22(2,3)4;/h7-8,13,16-17,24H,6,9-12,14-15H2,1-5H3;1H