[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidenepentanoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCC(=O)C

InChI

InChI=1S/C16H19NO6/c1-10(18)3-6-15(19)23-11(2)16(20)17-8-12-4-5-13-14(7-12)22-9-21-13/h4-5,7,11H,3,6,8-9H2,1-2H3,(H,17,20)/t11-/m0/s1