[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5/c1-5-23(6-2)20(24)18(14-10-8-7-9-11-14)28-21(25)15-12-16(22)19(27-4)17(13-15)26-3/h7-13,18H,5-6H2,1-4H3/t18-/m0/s1