ethyl (3S)-1-[(2R)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]nipecotic acid ethyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(COC2=CC(=CC(=C2C)C)C)O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C[C@H](COC2=CC(=CC(=C2C)C)C)O

InChI

InChI=1S/C20H31NO4/c1-5-24-20(23)17-7-6-8-21(11-17)12-18(22)13-25-19-10-14(2)9-15(3)16(19)4/h9-10,17-18,22H,5-8,11-13H2,1-4H3/t17-,18+/m0/s1