[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [(1R)-2-(dimethylamino)-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 [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-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 [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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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)OCCCO3

Isomeric SMILES

CN(C)C(=O)[C@@H](C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO5/c1-21(2)19(22)18(14-7-4-3-5-8-14)26-20(23)15-9-10-16-17(13-15)25-12-6-11-24-16/h3-5,7-10,13,18H,6,11-12H2,1-2H3/t18-/m1/s1