ethyl (3S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]nipecotic acid ethyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H21NO5/c1-2-21-17(20)12-6-5-9-18(10-12)16(19)15-11-22-13-7-3-4-8-14(13)23-15/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3/t12-,15+/m0/s1