(2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFNO4 MolecularWeight: 393.836443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CC=C1Cl)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=CC=C1Cl)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21ClFNO4/c1-13(2)18(23-20(25)27-11-14-7-4-3-5-8-14)19(24)26-12-15-16(21)9-6-10-17(15)22/h3-10,13,18H,11-12H2,1-2H3,(H,23,25)/t18-/m0/s1