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

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-6-23(7-2)21(24)19(15-11-9-8-10-12-15)29-22(25)16-13-17(26-3)20(28-5)18(14-16)27-4/h8-14,19H,6-7H2,1-5H3/t19-/m0/s1