5,5-bis(fluoranyl)-3-[(4-iodophenyl)carbonylamino]-4-oxidanyl-8-phenyl-octanoic acid

Systemtic Name: 5,5-bis(fluoranyl)-3-[(4-iodophenyl)carbonylamino]-4-oxidanyl-8-phenyl-octanoic acid Openeye Name: 5,5-difluoro-4-hydroxy-3-[(4-iodobenzoyl)amino]-8-phenyl-octanoic acid CAS Name: 5,5-difluoro-4-hydroxy-3-[[(4-iodophenyl)-oxomethyl]amino]-8-phenyloctanoic acid IUPAC Name: 5,5-difluoro-4-hydroxy-3-[(4-iodobenzoyl)amino]-8-phenyloctanoic acid Traditional Name: 5,5-difluoro-4-hydroxy-3-[(4-iodobenzoyl)amino]-8-phenyl-caprylic acid Formula: C21H22F2INO4 MolecularWeight: 517.304956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C(C(CC(=O)O)NC(=O)C2=CC=C(C=C2)I)O)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C(C(CC(=O)O)NC(=O)C2=CC=C(C=C2)I)O)(F)F

InChI

InChI=1S/C21H22F2INO4/c22-21(23,12-4-7-14-5-2-1-3-6-14)19(28)17(13-18(26)27)25-20(29)15-8-10-16(24)11-9-15/h1-3,5-6,8-11,17,19,28H,4,7,12-13H2,(H,25,29)(H,26,27)