2-[oxidanyl(4-phenylbutyl)phosphoryl]oxy-6-[2,2,2-tris(fluoranyl)ethanoylamino]hexanoic acid

Systemtic Name: 2-[oxidanyl(4-phenylbutyl)phosphoryl]oxy-6-[2,2,2-tris(fluoranyl)ethanoylamino]hexanoic acid Openeye Name: 2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid CAS Name: 2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-6-[(2,2,2-trifluoro-1-oxoethyl)amino]hexanoic acid IUPAC Name: 2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid Traditional Name: 2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid Formula: C18H25F3NO6P MolecularWeight: 439.363171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCP(=O)(O)OC(CCCCNC(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCP(=O)(O)OC(CCCCNC(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H25F3NO6P/c19-18(20,21)17(25)22-12-6-4-11-15(16(23)24)28-29(26,27)13-7-5-10-14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13H2,(H,22,25)(H,23,24)(H,26,27)