[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-19(2)17(20)16(12-6-4-3-5-7-12)24-18(21)13-8-9-14-15(10-13)23-11-22-14/h3-10,16H,11H2,1-2H3/t16-/m0/s1