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

Systemtic Name: ethyl 4-[(3-carbamimidoylphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]pyrrole-3-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: ethyl 4-[(3-carbamimidoylphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]pyrrole-3-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 4-[(3-carbamimidoylphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]-3-pyrrolecarboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: ethyl 4-[(3-carbamimidoylphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]pyrrole-3-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 4-(3-amidinobenzyl)-1-(4-phenoxybenzyl)pyrrole-3-carboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid Formula: C30H28F3N3O5 MolecularWeight: 567.55563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1CC2=CC=CC(=C2)C(=N)N)CC3=CC=C(C=C3)OC4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1=CN(C=C1CC2=CC=CC(=C2)C(=N)N)CC3=CC=C(C=C3)OC4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H27N3O3.C2HF3O2/c1-2-33-28(32)26-19-31(18-23(26)16-21-7-6-8-22(15-21)27(29)30)17-20-11-13-25(14-12-20)34-24-9-4-3-5-10-24;3-2(4,5)1(6)7/h3-15,18-19H,2,16-17H2,1H3,(H3,29,30);(H,6,7)