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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5/c1-5-23(16-10-8-7-9-11-16)20(24)14(3)28-21(25)15-12-17(22)19(27-6-2)18(13-15)26-4/h7-14H,5-6H2,1-4H3/t14-/m0/s1