[(3S)-5-oxidanylidene-1-[[6-(3-oxidanylidenebutyl)-1,3-benzodioxol-5-yl]methyl]pyrrolidin-3-yl] ethanoate

Systemtic Name: [(3S)-5-oxidanylidene-1-[[6-(3-oxidanylidenebutyl)-1,3-benzodioxol-5-yl]methyl]pyrrolidin-3-yl] ethanoate Openeye Name: [(3S)-5-oxo-1-[[6-(3-oxobutyl)-1,3-benzodioxol-5-yl]methyl]pyrrolidin-3-yl] acetate CAS Name: acetic acid [(3S)-5-oxo-1-[[6-(3-oxobutyl)-1,3-benzodioxol-5-yl]methyl]-3-pyrrolidinyl] ester IUPAC Name: [(3S)-5-oxo-1-[[6-(3-oxobutyl)-1,3-benzodioxol-5-yl]methyl]pyrrolidin-3-yl] acetate Traditional Name: acetic acid [(3S)-5-keto-1-[[6-(3-ketobutyl)-1,3-benzodioxol-5-yl]methyl]pyrrolidin-3-yl] ester Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC2=C(C=C1CN3CC(CC3=O)OC(=O)C)OCO2

Isomeric SMILES

CC(=O)CCC1=CC2=C(C=C1CN3C[C@H](CC3=O)OC(=O)C)OCO2

InChI

InChI=1S/C18H21NO6/c1-11(20)3-4-13-5-16-17(24-10-23-16)6-14(13)8-19-9-15(7-18(19)22)25-12(2)21/h5-6,15H,3-4,7-10H2,1-2H3/t15-/m0/s1