methyl 4-[4-(4-chloranylbutanoylamino)-2-(trifluoromethyl)phenyl]benzoate

Systemtic Name: methyl 4-[4-(4-chloranylbutanoylamino)-2-(trifluoromethyl)phenyl]benzoate Openeye Name: methyl 4-[4-(4-chlorobutanoylamino)-2-(trifluoromethyl)phenyl]benzoate CAS Name: 4-[4-[(4-chloro-1-oxobutyl)amino]-2-(trifluoromethyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorobutanoylamino)-2-(trifluoromethyl)phenyl]benzoate Traditional Name: 4-[4-(4-chlorobutanoylamino)-2-(trifluoromethyl)phenyl]benzoic acid methyl ester Formula: C19H17ClF3NO3 MolecularWeight: 399.79139

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)NC(=O)CCCCl)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)NC(=O)CCCCl)C(F)(F)F

InChI

InChI=1S/C19H17ClF3NO3/c1-27-18(26)13-6-4-12(5-7-13)15-9-8-14(11-16(15)19(21,22)23)24-17(25)3-2-10-20/h4-9,11H,2-3,10H2,1H3,(H,24,25)