methyl 4-[(3-carbamimidoylphenyl)-[2-(4-carbamimidoylphenyl)ethyl]amino]butanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 4-[(3-carbamimidoylphenyl)-[2-(4-carbamimidoylphenyl)ethyl]amino]butanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]butanoate; 2,2,2-trifluoroacetic acid CAS Name: 4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]butanoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]butanoate; 2,2,2-trifluoroacetic acid Traditional Name: 4-[3-amidino-N-[2-(4-amidinophenyl)ethyl]anilino]butyric acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C25H29F6N5O6 MolecularWeight: 609.518079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC(=O)CCCN(CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H27N5O2.2C2HF3O2/c1-28-19(27)6-3-12-26(18-5-2-4-17(14-18)21(24)25)13-11-15-7-9-16(10-8-15)20(22)23;2*3-2(4,5)1(6)7/h2,4-5,7-10,14H,3,6,11-13H2,1H3,(H3,22,23)(H3,24,25);2*(H,6,7)