ethyl 1-[(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]isonipecotic acid ethyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(CN2CCC(CC2)C(=O)OCC)O

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC[C@H](CN2CCC(CC2)C(=O)OCC)O

InChI

InChI=1S/C21H33NO4/c1-4-16(3)19-8-6-7-9-20(19)26-15-18(23)14-22-12-10-17(11-13-22)21(24)25-5-2/h6-9,16-18,23H,4-5,10-15H2,1-3H3/t16-,18-/m0/s1