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

Systemtic Name: 5,5-bis(fluoranyl)-4-oxidanylidene-8-phenyl-3-[(4-phenylphenyl)carbonylamino]octanoic acid Openeye Name: 5,5-difluoro-4-oxo-8-phenyl-3-[(4-phenylbenzoyl)amino]octanoic acid CAS Name: 5,5-difluoro-4-oxo-3-[[oxo-(4-phenylphenyl)methyl]amino]-8-phenyloctanoic acid IUPAC Name: 5,5-difluoro-4-oxo-8-phenyl-3-[(4-phenylbenzoyl)amino]octanoic acid Traditional Name: 5,5-difluoro-4-keto-8-phenyl-3-[(4-phenylbenzoyl)amino]caprylic acid Formula: C27H25F2NO4 MolecularWeight: 465.488506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C(=O)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C(=O)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)(F)F

InChI

InChI=1S/C27H25F2NO4/c28-27(29,17-7-10-19-8-3-1-4-9-19)25(33)23(18-24(31)32)30-26(34)22-15-13-21(14-16-22)20-11-5-2-6-12-20/h1-6,8-9,11-16,23H,7,10,17-18H2,(H,30,34)(H,31,32)