2,2-bis(fluoranyl)-6-methyl-3-oxidanyl-3-(phenylmethoxycarbonylamino)heptanoic acid

Systemtic Name: 2,2-bis(fluoranyl)-6-methyl-3-oxidanyl-3-(phenylmethoxycarbonylamino)heptanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-2,2-difluoro-3-hydroxy-6-methyl-heptanoic acid CAS Name: 2,2-difluoro-3-hydroxy-6-methyl-3-(phenylmethoxycarbonylamino)heptanoic acid IUPAC Name: 2,2-difluoro-3-hydroxy-6-methyl-3-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-2,2-difluoro-3-hydroxy-6-methyl-enanthic acid Formula: C16H21F2NO5 MolecularWeight: 345.338446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C(=O)O)(F)F)(NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CC(C)CCC(C(C(=O)O)(F)F)(NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C16H21F2NO5/c1-11(2)8-9-15(23,16(17,18)13(20)21)19-14(22)24-10-12-6-4-3-5-7-12/h3-7,11,23H,8-10H2,1-2H3,(H,19,22)(H,20,21)