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

Systemtic Name: [(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [(1S)-2-keto-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C20H22ClNO6 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)O[C@@H](C)C(=O)NC2=CC(=CC=C2)OC)OC

InChI

InChI=1S/C20H22ClNO6/c1-5-27-18-16(21)9-13(10-17(18)26-4)20(24)28-12(2)19(23)22-14-7-6-8-15(11-14)25-3/h6-12H,5H2,1-4H3,(H,22,23)/t12-/m0/s1