ethyl 1,4-bis[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: ethyl 1,4-bis[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: ethyl 1,4-bis[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 1,4-bis[(4-carbamimidoylphenyl)methyl]-3-pyrrolecarboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: ethyl 1,4-bis[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 1,4-bis(4-amidinobenzyl)pyrrole-3-carboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid Formula: C27H27F6N5O6 MolecularWeight: 631.523599

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1CC2=CC=C(C=C2)C(=N)N)CC3=CC=C(C=C3)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1=CN(C=C1CC2=CC=C(C=C2)C(=N)N)CC3=CC=C(C=C3)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C23H25N5O2.2C2HF3O2/c1-2-30-23(29)20-14-28(12-16-5-9-18(10-6-16)22(26)27)13-19(20)11-15-3-7-17(8-4-15)21(24)25;2*3-2(4,5)1(6)7/h3-10,13-14H,2,11-12H2,1H3,(H3,24,25)(H3,26,27);2*(H,6,7)