ethyl 1-[(2S)-2-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonyloxy]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonyloxy]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[(3R)-1-oxoisochromane-3-carbonyl]oxypropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-oxo-2-[oxo-[(3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]methoxy]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]oxypropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[(3R)-1-ketoisochroman-3-carbonyl]oxypropanoyl]isonipecotic acid ethyl ester Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)OC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C21H25NO7/c1-3-27-19(24)14-8-10-22(11-9-14)18(23)13(2)28-21(26)17-12-15-6-4-5-7-16(15)20(25)29-17/h4-7,13-14,17H,3,8-12H2,1-2H3/t13-,17+/m0/s1