4-(butylamino)-3-chloranyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 4-(butylamino)-3-chloranyl-5-(trifluoromethyl)benzoic acid Openeye Name: 4-(butylamino)-3-chloro-5-(trifluoromethyl)benzoic acid CAS Name: 4-(butylamino)-3-chloro-5-(trifluoromethyl)benzoic acid IUPAC Name: 4-(butylamino)-3-chloro-5-(trifluoromethyl)benzoic acid Traditional Name: 4-(butylamino)-3-chloro-5-(trifluoromethyl)benzoic acid Formula: C12H13ClF3NO2 MolecularWeight: 295.68533

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1Cl)C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCNC1=C(C=C(C=C1Cl)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H13ClF3NO2/c1-2-3-4-17-10-8(12(14,15)16)5-7(11(18)19)6-9(10)13/h5-6,17H,2-4H2,1H3,(H,18,19)