[(2R)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [(2R)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [(1R)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [(1R)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c1-12-4-5-13(2)16(8-12)20(24)14(3)28-19(23)10-22-21(25)15-6-7-17-18(9-15)27-11-26-17/h4-9,14H,10-11H2,1-3H3,(H,22,25)/t14-/m1/s1