3-azanyl-2-tert-butyl-5,5-bis(fluoranyl)-4-oxidanyl-8-phenyl-octanoate

Systemtic Name: 3-azanyl-2-tert-butyl-5,5-bis(fluoranyl)-4-oxidanyl-8-phenyl-octanoate Openeye Name: 3-amino-2-tert-butyl-5,5-difluoro-4-hydroxy-8-phenyl-octanoate CAS Name: 3-amino-2-tert-butyl-5,5-difluoro-4-hydroxy-8-phenyloctanoate IUPAC Name: 3-amino-2-tert-butyl-5,5-difluoro-4-hydroxy-8-phenyloctanoate Traditional Name: 3-amino-2-tert-butyl-5,5-difluoro-4-hydroxy-8-phenyl-caprylate Formula: C18H26F2NO3- MolecularWeight: 342.400746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(C(C(CCCC1=CC=CC=C1)(F)F)O)N)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(C(C(C(CCCC1=CC=CC=C1)(F)F)O)N)C(=O)[O-]

InChI

InChI=1S/C18H27F2NO3/c1-17(2,3)13(16(23)24)14(21)15(22)18(19,20)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13-15,22H,7,10-11,21H2,1-3H3,(H,23,24)/p-1