[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO5/c1-3-22(4-2)19(23)17(13-8-6-5-7-9-13)27-20(24)14-10-15(21)18-16(11-14)25-12-26-18/h5-11,17H,3-4,12H2,1-2H3/t17-/m0/s1