methyl 3-[(4-carbamimidoylphenyl)carbamoylamino]-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 3-[(4-carbamimidoylphenyl)carbamoylamino]-5-(trifluoromethyl)benzoate Openeye Name: methyl 3-[(4-carbamimidoylphenyl)carbamoylamino]-5-(trifluoromethyl)benzoate CAS Name: 3-[[(4-carbamimidoylanilino)-oxomethyl]amino]-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-carbamimidoylphenyl)carbamoylamino]-5-(trifluoromethyl)benzoate Traditional Name: 3-[(4-amidinophenyl)carbamoylamino]-5-(trifluoromethyl)benzoic acid methyl ester Formula: C17H15F3N4O3 MolecularWeight: 380.32121

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=N)N)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=N)N)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O3/c1-27-15(25)10-6-11(17(18,19)20)8-13(7-10)24-16(26)23-12-4-2-9(3-5-12)14(21)22/h2-8H,1H3,(H3,21,22)(H2,23,24,26)