methyl (2S,3R)-2-[(4-chloranyl-7-methyl-quinolin-3-yl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: methyl (2S,3R)-2-[(4-chloranyl-7-methyl-quinolin-3-yl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: methyl (2S,3R)-2-[(4-chloro-7-methyl-quinoline-3-carbonyl)amino]-3-hydroxy-butanoate CAS Name: (2S,3R)-2-[[(4-chloro-7-methyl-3-quinolinyl)-oxomethyl]amino]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-[(4-chloro-7-methylquinoline-3-carbonyl)amino]-3-hydroxybutanoate Traditional Name: (2S,3R)-2-[(4-chloro-7-methyl-quinoline-3-carbonyl)amino]-3-hydroxy-butyric acid methyl ester Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC=C(C(=C2C=C1)Cl)C(=O)NC(C(C)O)C(=O)OC

Isomeric SMILES

CC1=CC2=NC=C(C(=C2C=C1)Cl)C(=O)N[C@@H]([C@@H](C)O)C(=O)OC

InChI

InChI=1S/C16H17ClN2O4/c1-8-4-5-10-12(6-8)18-7-11(13(10)17)15(21)19-14(9(2)20)16(22)23-3/h4-7,9,14,20H,1-3H3,(H,19,21)/t9-,14+/m1/s1