[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C13H16ClNO4 MolecularWeight: 285.72344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C=C(C=C1)Cl)O

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C=C(C=C1)Cl)O

InChI

InChI=1S/C13H16ClNO4/c1-3-6-15-12(17)8(2)19-13(18)10-5-4-9(14)7-11(10)16/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)/t8-/m0/s1