[(4-butyl-2-methyl-phenyl)iminomethylamino] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [(4-butyl-2-methyl-phenyl)iminomethylamino] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [(4-butyl-2-methyl-phenyl)iminomethylamino] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [(4-butyl-2-methylphenyl)iminomethylamino] ester IUPAC Name: [(4-butyl-2-methylphenyl)iminomethylamino] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [(4-butyl-2-methyl-phenyl)iminomethylamino] ester Formula: C21H20F6N2O2 MolecularWeight: 446.386119

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)N=CNOC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)N=CNOC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C21H20F6N2O2/c1-3-4-5-14-6-7-18(13(2)8-14)28-12-29-31-19(30)15-9-16(20(22,23)24)11-17(10-15)21(25,26)27/h6-12H,3-5H2,1-2H3,(H,28,29)