ethyl (3S)-1-[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2R)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]nipecotic acid ethyl ester Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(COC2=C(C=C(C=C2)C(C)(C)C)C)O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C[C@H](COC2=C(C=C(C=C2)C(C)(C)C)C)O

InChI

InChI=1S/C22H35NO4/c1-6-26-21(25)17-8-7-11-23(13-17)14-19(24)15-27-20-10-9-18(12-16(20)2)22(3,4)5/h9-10,12,17,19,24H,6-8,11,13-15H2,1-5H3/t17-,19+/m0/s1