[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NCCC2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C)C(=O)NCCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H24ClNO5/c1-4-27-19-17(22)12-16(13-18(19)26-3)21(25)28-14(2)20(24)23-11-10-15-8-6-5-7-9-15/h5-9,12-14H,4,10-11H2,1-3H3,(H,23,24)/t14-/m1/s1