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

Systemtic Name: methyl (2S)-2-[(4-chloranylquinolin-3-yl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-quinolinyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-methyl-butyric acid methyl ester Formula: C16H17ClN2O3 MolecularWeight: 320.77078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O3/c1-9(2)14(16(21)22-3)19-15(20)11-8-18-12-7-5-4-6-10(12)13(11)17/h4-9,14H,1-3H3,(H,19,20)/t14-/m0/s1