phenoxymethylbenzene; N-[2,4,6-tris(fluoranyl)phenyl]propanamide

Systemtic Name: phenoxymethylbenzene; N-[2,4,6-tris(fluoranyl)phenyl]propanamide Openeye Name: benzyloxybenzene; N-(2,4,6-trifluorophenyl)propanamide CAS Name: phenoxymethylbenzene; N-(2,4,6-trifluorophenyl)propanamide IUPAC Name: phenoxymethylbenzene; N-(2,4,6-trifluorophenyl)propanamide Traditional Name: benzoxybenzene; N-(2,4,6-trifluorophenyl)propionamide Formula: C22H20F3NO2 MolecularWeight: 387.39491

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1F)F)F.C1=CC=C(C=C1)COC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1F)F)F.C1=CC=C(C=C1)COC2=CC=CC=C2

InChI

InChI=1S/C13H12O.C9H8F3NO/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;1-2-8(14)13-9-6(11)3-5(10)4-7(9)12/h1-10H,11H2;3-4H,2H2,1H3,(H,13,14)