3-chloranyl-4-(2-pyrrolidin-1-ylethylamino)-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-chloranyl-4-(2-pyrrolidin-1-ylethylamino)-5-(trifluoromethyl)benzoic acid Openeye Name: 3-chloro-4-(2-pyrrolidin-1-ylethylamino)-5-(trifluoromethyl)benzoic acid CAS Name: 3-chloro-4-[2-(1-pyrrolidinyl)ethylamino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-chloro-4-(2-pyrrolidin-1-ylethylamino)-5-(trifluoromethyl)benzoic acid Traditional Name: 3-chloro-4-(2-pyrrolidinoethylamino)-5-(trifluoromethyl)benzoic acid Formula: C14H16ClF3N2O2 MolecularWeight: 336.73725

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=C(C=C(C=C2Cl)C(=O)O)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CCNC2=C(C=C(C=C2Cl)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H16ClF3N2O2/c15-11-8-9(13(21)22)7-10(14(16,17)18)12(11)19-3-6-20-4-1-2-5-20/h7-8,19H,1-6H2,(H,21,22)