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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [(1S)-2-(4-ethylanilino)-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 [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22N2O6/c1-3-14-4-7-16(8-5-14)23-20(25)13(2)29-19(24)11-22-21(26)15-6-9-17-18(10-15)28-12-27-17/h4-10,13H,3,11-12H2,1-2H3,(H,22,26)(H,23,25)/t13-/m0/s1