3-(2-azanylpropyl)benzoic acid; 2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: 3-(2-azanylpropyl)benzoic acid; 2,2,2-tris(fluoranyl)ethanamide Openeye Name: 3-(2-aminopropyl)benzoic acid; 2,2,2-trifluoroacetamide CAS Name: 3-(2-aminopropyl)benzoic acid; 2,2,2-trifluoroacetamide IUPAC Name: 3-(2-aminopropyl)benzoic acid; 2,2,2-trifluoroacetamide Traditional Name: 3-(2-aminopropyl)benzoic acid; 2,2,2-trifluoroacetamide Formula: C12H15F3N2O3 MolecularWeight: 292.25431

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC(=C1)C(=O)O)N.C(=O)(C(F)(F)F)N

Isomeric SMILES

CC(CC1=CC=CC(=C1)C(=O)O)N.C(=O)(C(F)(F)F)N

InChI

InChI=1S/C10H13NO2.C2H2F3NO/c1-7(11)5-8-3-2-4-9(6-8)10(12)13;3-2(4,5)1(6)7/h2-4,6-7H,5,11H2,1H3,(H,12,13);(H2,6,7)