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

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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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)C(=O)N)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O6/c1-3-27-15-9-12(8-14(20)16(15)23)19(26)28-10(2)18(25)22-13-6-4-11(5-7-13)17(21)24/h4-10,23H,3H2,1-2H3,(H2,21,24)(H,22,25)/t10-/m1/s1