benzoic acid; 1-[5-chloranyl-6-(trifluoromethyl)-1-benzofuran-4-yl]cyclopropan-1-amine

Systemtic Name: benzoic acid; 1-[5-chloranyl-6-(trifluoromethyl)-1-benzofuran-4-yl]cyclopropan-1-amine Openeye Name: benzoic acid; 1-[5-chloro-6-(trifluoromethyl)benzofuran-4-yl]cyclopropanamine CAS Name: benzoic acid; 1-[5-chloro-6-(trifluoromethyl)-4-benzofuranyl]-1-cyclopropanamine IUPAC Name: benzoic acid; 1-[5-chloro-6-(trifluoromethyl)-1-benzofuran-4-yl]cyclopropan-1-amine Traditional Name: benzoic acid; [1-[5-chloro-6-(trifluoromethyl)benzofuran-4-yl]cyclopropyl]amine Formula: C19H15ClF3NO3 MolecularWeight: 397.77551

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=C(C(=CC3=C2C=CO3)C(F)(F)F)Cl)N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CC1(C2=C(C(=CC3=C2C=CO3)C(F)(F)F)Cl)N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H9ClF3NO.C7H6O2/c13-10-7(12(14,15)16)5-8-6(1-4-18-8)9(10)11(17)2-3-11;8-7(9)6-4-2-1-3-5-6/h1,4-5H,2-3,17H2;1-5H,(H,8,9)