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

Systemtic Name: methyl (2S,3S)-2-[(4-chloranylquinolin-3-yl)carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(4-chloro-3-quinolinyl)-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-methyl-valeric acid methyl ester Formula: C17H19ClN2O3 MolecularWeight: 334.79736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O3/c1-4-10(2)15(17(22)23-3)20-16(21)12-9-19-13-8-6-5-7-11(13)14(12)18/h5-10,15H,4H2,1-3H3,(H,20,21)/t10-,15-/m0/s1