N-(4-carbamimidoylphenyl)-N'-[1-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-(4-carbamimidoylphenyl)-N'-[1-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(4-carbamimidoylphenyl)-N'-[1-[4-tetrahydropyran-4-yloxy-3-(trifluoromethyl)phenyl]ethyl]propanediamide; 2,2,2-trifluoroacetic acid CAS Name: N-(4-carbamimidoylphenyl)-N'-[1-[4-(4-oxanyloxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(4-carbamimidoylphenyl)-N'-[1-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(4-amidinophenyl)-N'-[1-[4-tetrahydropyran-4-yloxy-3-(trifluoromethyl)phenyl]ethyl]malonamide; 2,2,2-trifluoroacetic acid Formula: C26H28F6N4O6 MolecularWeight: 606.514139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC2CCOCC2)C(F)(F)F)NC(=O)CC(=O)NC3=CC=C(C=C3)C(=N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC2CCOCC2)C(F)(F)F)NC(=O)CC(=O)NC3=CC=C(C=C3)C(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H27F3N4O4.C2HF3O2/c1-14(30-21(32)13-22(33)31-17-5-2-15(3-6-17)23(28)29)16-4-7-20(19(12-16)24(25,26)27)35-18-8-10-34-11-9-18;3-2(4,5)1(6)7/h2-7,12,14,18H,8-11,13H2,1H3,(H3,28,29)(H,30,32)(H,31,33);(H,6,7)