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

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-chloro-3-quinolyl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (2-chloro-3-quinolyl)methyl ester Formula: C22H20ClFN2O3 MolecularWeight: 414.857203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H20ClFN2O3/c1-13(2)19(26-21(27)16-8-4-5-9-17(16)24)22(28)29-12-15-11-14-7-3-6-10-18(14)25-20(15)23/h3-11,13,19H,12H2,1-2H3,(H,26,27)/t19-/m0/s1