1-(2-azanyl-3-methoxy-phenyl)-5-methyl-hex-4-en-3-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-(2-azanyl-3-methoxy-phenyl)-5-methyl-hex-4-en-3-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-(2-amino-3-methoxy-phenyl)-5-methyl-hex-4-en-3-one; 2,2,2-trifluoroacetic acid CAS Name: 1-(2-amino-3-methoxyphenyl)-5-methyl-4-hexen-3-one; 2,2,2-trifluoroacetic acid IUPAC Name: 1-(2-amino-3-methoxyphenyl)-5-methylhex-4-en-3-one; 2,2,2-trifluoroacetic acid Traditional Name: 1-(2-amino-3-methoxy-phenyl)-5-methyl-hex-4-en-3-one; 2,2,2-trifluoroacetic acid Formula: C16H20F3NO4 MolecularWeight: 347.32951

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)CCC1=C(C(=CC=C1)OC)N)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=CC(=O)CCC1=C(C(=CC=C1)OC)N)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H19NO2.C2HF3O2/c1-10(2)9-12(16)8-7-11-5-4-6-13(17-3)14(11)15;3-2(4,5)1(6)7/h4-6,9H,7-8,15H2,1-3H3;(H,6,7)