[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO5/c1-12(2)14-4-7-16(8-5-14)21-19(22)13(3)26-20(23)15-6-9-17-18(10-15)25-11-24-17/h4-10,12-13H,11H2,1-3H3,(H,21,22)/t13-/m0/s1