3-(butoxycarbonylamino)-2,2-bis(fluoranyl)-3-oxidanyl-5-(4-phenylmethoxyphenyl)pentanoic acid

Systemtic Name: 3-(butoxycarbonylamino)-2,2-bis(fluoranyl)-3-oxidanyl-5-(4-phenylmethoxyphenyl)pentanoic acid Openeye Name: 5-(4-benzyloxyphenyl)-3-(butoxycarbonylamino)-2,2-difluoro-3-hydroxy-pentanoic acid CAS Name: 3-[[butoxy(oxo)methyl]amino]-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid IUPAC Name: 3-(butoxycarbonylamino)-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid Traditional Name: 5-(4-benzoxyphenyl)-3-(butoxycarbonylamino)-2,2-difluoro-3-hydroxy-valeric acid Formula: C23H27F2NO6 MolecularWeight: 451.460386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CCC1=CC=C(C=C1)OCC2=CC=CC=C2)(C(C(=O)O)(F)F)O

Isomeric SMILES

CCCCOC(=O)NC(CCC1=CC=C(C=C1)OCC2=CC=CC=C2)(C(C(=O)O)(F)F)O

InChI

InChI=1S/C23H27F2NO6/c1-2-3-15-31-21(29)26-22(30,23(24,25)20(27)28)14-13-17-9-11-19(12-10-17)32-16-18-7-5-4-6-8-18/h4-12,30H,2-3,13-16H2,1H3,(H,26,29)(H,27,28)