ethyl 1-[3-(3-methyl-5-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 1-[3-(3-methyl-5-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 1-[2-hydroxy-3-(3-isopropyl-5-methyl-phenoxy)propyl]piperidine-4-carboxylate hydrochloride CAS Name: 1-[2-hydroxy-3-(3-methyl-5-propan-2-ylphenoxy)propyl]-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[2-hydroxy-3-(3-methyl-5-propan-2-ylphenoxy)propyl]piperidine-4-carboxylate hydrochloride Traditional Name: 1-[2-hydroxy-3-(3-isopropyl-5-methyl-phenoxy)propyl]isonipecotic acid ethyl ester hydrochloride Formula: C21H34ClNO4 MolecularWeight: 399.95196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4.ClH/c1-5-25-21(24)17-6-8-22(9-7-17)13-19(23)14-26-20-11-16(4)10-18(12-20)15(2)3;/h10-12,15,17,19,23H,5-9,13-14H2,1-4H3;1H