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

Systemtic Name: ethyl (3S)-1-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2S)-2-hydroxy-3-piperonyloxy-propyl]nipecotic acid ethyl ester Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C[C@@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C19H27NO6/c1-2-24-19(22)15-4-3-7-20(9-15)10-16(21)12-23-11-14-5-6-17-18(8-14)26-13-25-17/h5-6,8,15-16,21H,2-4,7,9-13H2,1H3/t15-,16-/m0/s1