N-[2-[2-[2,3-bis(oxidanylidene)-3-[(phenylmethyl)amino]propyl]-5-carbamimidoyl-phenoxy]ethyl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[2-[2-[2,3-bis(oxidanylidene)-3-[(phenylmethyl)amino]propyl]-5-carbamimidoyl-phenoxy]ethyl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[2-[2-[3-(benzylamino)-2,3-dioxo-propyl]-5-carbamimidoyl-phenoxy]ethyl]benzamide; 2,2,2-trifluoroacetic acid CAS Name: N-[2-[5-carbamimidoyl-2-[2,3-dioxo-3-[(phenylmethyl)amino]propyl]phenoxy]ethyl]benzamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[2-[2-[3-(benzylamino)-2,3-dioxopropyl]-5-carbamimidoylphenoxy]ethyl]benzamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[2-[5-amidino-2-[3-(benzylamino)-2,3-diketo-propyl]phenoxy]ethyl]benzamide; 2,2,2-trifluoroacetic acid Formula: C28H27F3N4O6 MolecularWeight: 572.53239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=O)CC2=C(C=C(C=C2)C(=N)N)OCCNC(=O)C3=CC=CC=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(=O)CC2=C(C=C(C=C2)C(=N)N)OCCNC(=O)C3=CC=CC=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H26N4O4.C2HF3O2/c27-24(28)21-12-11-20(15-22(31)26(33)30-17-18-7-3-1-4-8-18)23(16-21)34-14-13-29-25(32)19-9-5-2-6-10-19;3-2(4,5)1(6)7/h1-12,16H,13-15,17H2,(H3,27,28)(H,29,32)(H,30,33);(H,6,7)