2-phenyl-6-[[4,4,4-tris(fluoranyl)butoxycarbonylamino]methyl]benzoic acid

Systemtic Name: 2-phenyl-6-[[4,4,4-tris(fluoranyl)butoxycarbonylamino]methyl]benzoic acid Openeye Name: 2-phenyl-6-[(4,4,4-trifluorobutoxycarbonylamino)methyl]benzoic acid CAS Name: 2-[[[oxo(4,4,4-trifluorobutoxy)methyl]amino]methyl]-6-phenylbenzoic acid IUPAC Name: 2-phenyl-6-[(4,4,4-trifluorobutoxycarbonylamino)methyl]benzoic acid Traditional Name: 2-phenyl-6-[(4,4,4-trifluorobutoxycarbonylamino)methyl]benzoic acid Formula: C19H18F3NO4 MolecularWeight: 381.34573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC=C2)CNC(=O)OCCCC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)CNC(=O)OCCCC(F)(F)F)C(=O)O

InChI

InChI=1S/C19H18F3NO4/c20-19(21,22)10-5-11-27-18(26)23-12-14-8-4-9-15(16(14)17(24)25)13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,23,26)(H,24,25)