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

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (2-chloro-3-quinolyl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (2-chloro-3-quinolyl)methyl ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C23H23ClN2O3/c1-14(2)20(26-22(27)18-10-6-4-8-15(18)3)23(28)29-13-17-12-16-9-5-7-11-19(16)25-21(17)24/h4-12,14,20H,13H2,1-3H3,(H,26,27)/t20-/m0/s1