[(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [(1S)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)N4CCOCC4)OC1

InChI

InChI=1S/C22H23NO6/c24-21(23-9-13-26-14-10-23)20(16-5-2-1-3-6-16)29-22(25)17-7-8-18-19(15-17)28-12-4-11-27-18/h1-3,5-8,15,20H,4,9-14H2/t20-/m0/s1