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

Systemtic Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-(4-pyridin-3-ylphenyl)pyrrole-3-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-[4-(3-pyridyl)phenyl]pyrrole-3-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-[4-(3-pyridinyl)phenyl]-3-pyrrolecarboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-(4-pyridin-3-ylphenyl)pyrrole-3-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 1-(3-amidinobenzyl)-4-[4-(3-pyridyl)phenyl]pyrrole-3-carboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid Formula: C30H26F6N4O6 MolecularWeight: 652.541059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1C2=CC=C(C=C2)C3=CN=CC=C3)CC4=CC=CC(=C4)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1=CN(C=C1C2=CC=C(C=C2)C3=CN=CC=C3)CC4=CC=CC(=C4)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H24N4O2.2C2HF3O2/c1-2-32-26(31)24-17-30(15-18-5-3-6-21(13-18)25(27)28)16-23(24)20-10-8-19(9-11-20)22-7-4-12-29-14-22;2*3-2(4,5)1(6)7/h3-14,16-17H,2,15H2,1H3,(H3,27,28);2*(H,6,7)