[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1COCCN1C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H18ClNO6/c21-15-10-14(11-16-18(15)27-12-26-16)20(24)28-17(13-4-2-1-3-5-13)19(23)22-6-8-25-9-7-22/h1-5,10-11,17H,6-9,12H2/t17-/m1/s1