2-[4-(4-aminophenyl)butyl-(3-carbamimidoylphenyl)amino]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[4-(4-aminophenyl)butyl-(3-carbamimidoylphenyl)amino]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[N-[4-(4-aminophenyl)butyl]-3-carbamimidoyl-anilino]acetamide; 2,2,2-trifluoroacetic acid CAS Name: 2-[N-[4-(4-aminophenyl)butyl]-3-carbamimidoylanilino]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[N-[4-(4-aminophenyl)butyl]-3-carbamimidoylanilino]acetamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-[3-amidino-N-[4-(4-aminophenyl)butyl]anilino]acetamide; 2,2,2-trifluoroacetic acid Formula: C23H27F6N5O5 MolecularWeight: 567.481399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(CCCCC2=CC=C(C=C2)N)CC(=O)N)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC(=CC(=C1)N(CCCCC2=CC=C(C=C2)N)CC(=O)N)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H25N5O.2C2HF3O2/c20-16-9-7-14(8-10-16)4-1-2-11-24(13-18(21)25)17-6-3-5-15(12-17)19(22)23;2*3-2(4,5)1(6)7/h3,5-10,12H,1-2,4,11,13,20H2,(H2,21,25)(H3,22,23);2*(H,6,7)