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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5/c1-3-15(16-7-5-4-6-8-16)12-22-20(23)14(2)27-21(24)17-9-10-18-19(11-17)26-13-25-18/h4-11,14-15H,3,12-13H2,1-2H3,(H,22,23)/t14-,15+/m0/s1