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

Systemtic Name: ethyl 1-[(2R)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]isonipecotic acid ethyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C[C@H](COC2=CC(=C(C=C2)C(C)C)C)O

InChI

InChI=1S/C21H33NO4/c1-5-25-21(24)17-8-10-22(11-9-17)13-18(23)14-26-19-6-7-20(15(2)3)16(4)12-19/h6-7,12,15,17-18,23H,5,8-11,13-14H2,1-4H3/t18-/m1/s1