(3-carbamimidoylphenyl) 5-phenylpentanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3-carbamimidoylphenyl) 5-phenylpentanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3-carbamimidoylphenyl) 5-phenylpentanoate; 2,2,2-trifluoroacetic acid CAS Name: 5-phenylpentanoic acid (3-carbamimidoylphenyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: (3-carbamimidoylphenyl) 5-phenylpentanoate; 2,2,2-trifluoroacetic acid Traditional Name: 5-phenylvaleric acid (3-amidinophenyl) ester; 2,2,2-trifluoroacetic acid Formula: C22H22F6N2O6 MolecularWeight: 524.410299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(=O)OC2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(=O)OC2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H20N2O2.2C2HF3O2/c19-18(20)15-10-6-11-16(13-15)22-17(21)12-5-4-9-14-7-2-1-3-8-14;2*3-2(4,5)1(6)7/h1-3,6-8,10-11,13H,4-5,9,12H2,(H3,19,20);2*(H,6,7)