4-azanyl-2-[3-[4-ethanoyl-3-oxidanyl-2-[3,3,3-tris(fluoranyl)propyl]phenoxy]propoxy]-5-methyl-benzenecarbonitrile

Systemtic Name: 4-azanyl-2-[3-[4-ethanoyl-3-oxidanyl-2-[3,3,3-tris(fluoranyl)propyl]phenoxy]propoxy]-5-methyl-benzenecarbonitrile Openeye Name: 2-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-4-amino-5-methyl-benzonitrile CAS Name: 2-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-4-amino-5-methylbenzonitrile IUPAC Name: 2-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-4-amino-5-methylbenzonitrile Traditional Name: 2-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-4-amino-5-methyl-benzonitrile Formula: C22H23F3N2O4 MolecularWeight: 436.42423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#N)OCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC(F)(F)F)N

Isomeric SMILES

CC1=C(C=C(C(=C1)C#N)OCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC(F)(F)F)N

InChI

InChI=1S/C22H23F3N2O4/c1-13-10-15(12-26)20(11-18(13)27)31-9-3-8-30-19-5-4-16(14(2)28)21(29)17(19)6-7-22(23,24)25/h4-5,10-11,29H,3,6-9,27H2,1-2H3