methyl 3,4,5-tris(fluoranyl)-2-(pentylcarbamoylamino)benzoate

Systemtic Name: methyl 3,4,5-tris(fluoranyl)-2-(pentylcarbamoylamino)benzoate Openeye Name: methyl 3,4,5-trifluoro-2-(pentylcarbamoylamino)benzoate CAS Name: 3,4,5-trifluoro-2-[[oxo-(pentylamino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3,4,5-trifluoro-2-(pentylcarbamoylamino)benzoate Traditional Name: 2-(amylcarbamoylamino)-3,4,5-trifluoro-benzoic acid methyl ester Formula: C14H17F3N2O3 MolecularWeight: 318.29159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C(=C(C=C1C(=O)OC)F)F)F

Isomeric SMILES

CCCCCNC(=O)NC1=C(C(=C(C=C1C(=O)OC)F)F)F

InChI

InChI=1S/C14H17F3N2O3/c1-3-4-5-6-18-14(21)19-12-8(13(20)22-2)7-9(15)10(16)11(12)17/h7H,3-6H2,1-2H3,(H2,18,19,21)