6,6-bis(fluoranyl)-3-methyl-2-oxidanylidene-4-phenyl-5-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 6,6-bis(fluoranyl)-3-methyl-2-oxidanylidene-4-phenyl-5-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 5-(benzyloxycarbonylamino)-6,6-difluoro-3-methyl-2-oxo-4-phenyl-hexanoic acid CAS Name: 6,6-difluoro-3-methyl-2-oxo-4-phenyl-5-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 6,6-difluoro-3-methyl-2-oxo-4-phenyl-5-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 5-(benzyloxycarbonylamino)-6,6-difluoro-2-keto-3-methyl-4-phenyl-hexanoic acid Formula: C21H21F2NO5 MolecularWeight: 405.391946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)C(C(F)F)NC(=O)OCC2=CC=CC=C2)C(=O)C(=O)O

Isomeric SMILES

CC(C(C1=CC=CC=C1)C(C(F)F)NC(=O)OCC2=CC=CC=C2)C(=O)C(=O)O

InChI

InChI=1S/C21H21F2NO5/c1-13(18(25)20(26)27)16(15-10-6-3-7-11-15)17(19(22)23)24-21(28)29-12-14-8-4-2-5-9-14/h2-11,13,16-17,19H,12H2,1H3,(H,24,28)(H,26,27)