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

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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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)OCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO5/c1-5-24(6-2)21(25)19(15-11-9-8-10-12-15)29-22(26)16-13-17(23)20(28-7-3)18(14-16)27-4/h8-14,19H,5-7H2,1-4H3/t19-/m0/s1