(2-chloranylquinolin-3-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: (2-chloro-3-quinolyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid (2-chloro-3-quinolyl)methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-14(2)19(26-22(28)24-17-9-4-3-5-10-17)21(27)29-13-16-12-15-8-6-7-11-18(15)25-20(16)23/h3-12,14,19H,13H2,1-2H3,(H2,24,26,28)/t19-/m1/s1