2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-(trifluoromethyloxy)benzoate

Systemtic Name: 2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-(trifluoromethyloxy)benzoate Openeye Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenyl-ethyl]-4-(trifluoromethoxy)benzoate CAS Name: 2-[2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-2-phenylethyl]-4-(trifluoromethoxy)benzoate IUPAC Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenylethyl]-4-(trifluoromethoxy)benzoate Traditional Name: 2-[2-[(3-amidinobenzoyl)amino]-2-phenyl-ethyl]-4-(trifluoromethoxy)benzoate Formula: C24H19F3N3O4- MolecularWeight: 470.42057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=C(C=CC(=C2)OC(F)(F)F)C(=O)[O-])NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=C(C=CC(=C2)OC(F)(F)F)C(=O)[O-])NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C24H20F3N3O4/c25-24(26,27)34-18-9-10-19(23(32)33)17(12-18)13-20(14-5-2-1-3-6-14)30-22(31)16-8-4-7-15(11-16)21(28)29/h1-12,20H,13H2,(H3,28,29)(H,30,31)(H,32,33)/p-1