(2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (2-morpholino-2-oxo-1-phenyl-ethyl) 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (2-keto-2-morpholino-1-phenyl-ethyl) ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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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)OCCO4

Isomeric SMILES

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H20ClNO6/c22-16-12-15(13-17-19(16)28-11-10-27-17)21(25)29-18(14-4-2-1-3-5-14)20(24)23-6-8-26-9-7-23/h1-5,12-13,18H,6-11H2