[(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)NC(=O)C)Cl)O

InChI

InChI=1S/C20H21ClN2O6/c1-4-28-17-10-13(9-16(21)18(17)25)20(27)29-11(2)19(26)23-15-7-5-14(6-8-15)22-12(3)24/h5-11,25H,4H2,1-3H3,(H,22,24)(H,23,26)/t11-/m1/s1