[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19NO6/c1-12-3-5-14(6-4-12)19(23)13(2)27-18(22)10-21-20(24)15-7-8-16-17(9-15)26-11-25-16/h3-9,13H,10-11H2,1-2H3,(H,21,24)/t13-/m0/s1