ethyl (2R,3R)-3-(1,3-benzodioxol-5-yl)-2-ethanoyl-5-oxidanylidene-5-pyridin-2-yl-pentanoate

Systemtic Name: ethyl (2R,3R)-3-(1,3-benzodioxol-5-yl)-2-ethanoyl-5-oxidanylidene-5-pyridin-2-yl-pentanoate Openeye Name: ethyl (2R,3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-5-oxo-5-(2-pyridyl)pentanoate CAS Name: (2R,3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-5-oxo-5-(2-pyridinyl)pentanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-5-oxo-5-pyridin-2-ylpentanoate Traditional Name: (2R,3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-5-keto-5-(2-pyridyl)valeric acid ethyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)C1=CC=CC=N1)C2=CC3=C(C=C2)OCO3)C(=O)C

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](CC(=O)C1=CC=CC=N1)C2=CC3=C(C=C2)OCO3)C(=O)C

InChI

InChI=1S/C21H21NO6/c1-3-26-21(25)20(13(2)23)15(11-17(24)16-6-4-5-9-22-16)14-7-8-18-19(10-14)28-12-27-18/h4-10,15,20H,3,11-12H2,1-2H3/t15-,20-/m0/s1