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

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C2=CC=CC=C2)C(=O)N(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N(C)C)OC

InChI

InChI=1S/C20H22ClNO5/c1-5-26-18-15(21)11-14(12-16(18)25-4)20(24)27-17(19(23)22(2)3)13-9-7-6-8-10-13/h6-12,17H,5H2,1-4H3/t17-/m1/s1