3,5-bis(4-carbamimidoylphenyl)pentanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3,5-bis(4-carbamimidoylphenyl)pentanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3,5-bis(4-carbamimidoylphenyl)pentanoate; 2,2,2-trifluoroacetate CAS Name: 3,5-bis(4-carbamimidoylphenyl)pentanoate; 2,2,2-trifluoroacetate IUPAC Name: 3,5-bis(4-carbamimidoylphenyl)pentanoate; 2,2,2-trifluoroacetate Traditional Name: 3,5-bis(4-amidinophenyl)valerate; 2,2,2-trifluoroacetate Formula: C23H21F6N4O6-3 MolecularWeight: 563.426459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CC(=O)[O-])C2=CC=C(C=C2)C(=N)N)C(=N)N.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(CC(=O)[O-])C2=CC=C(C=C2)C(=N)N)C(=N)N.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C19H22N4O2.2C2HF3O2/c20-18(21)14-4-1-12(2-5-14)3-6-16(11-17(24)25)13-7-9-15(10-8-13)19(22)23;2*3-2(4,5)1(6)7/h1-2,4-5,7-10,16H,3,6,11H2,(H3,20,21)(H3,22,23)(H,24,25);2*(H,6,7)/p-3