methyl (2S,3R)-2-[(4-chloranylquinolin-3-yl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: methyl (2S,3R)-2-[(4-chloranylquinolin-3-yl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: methyl (2S,3R)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-hydroxy-butanoate CAS Name: (2S,3R)-2-[[(4-chloro-3-quinolinyl)-oxomethyl]amino]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-hydroxybutanoate Traditional Name: (2S,3R)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-hydroxy-butyric acid methyl ester Formula: C15H15ClN2O4 MolecularWeight: 322.7436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)NC(=O)C1=C(C2=CC=CC=C2N=C1)Cl)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)OC)NC(=O)C1=C(C2=CC=CC=C2N=C1)Cl)O

InChI

InChI=1S/C15H15ClN2O4/c1-8(19)13(15(21)22-2)18-14(20)10-7-17-11-6-4-3-5-9(11)12(10)16/h3-8,13,19H,1-2H3,(H,18,20)/t8-,13+/m1/s1