(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[2,2,2-tris(chloranyl)ethylcarbamoyl]benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[2,2,2-tris(chloranyl)ethylcarbamoyl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(2,2,2-trichloroethylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[oxo-(2,2,2-trichloroethylamino)methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-(2,2,2-trichloroethylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(2,2,2-trichloroethylcarbamoyl)benzoic acid benzyl ester Formula: C31H26Cl3N5O5 MolecularWeight: 654.92764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(Cl)(Cl)Cl)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(Cl)(Cl)Cl)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C31H26Cl3N5O5/c1-43-25-14-13-23(26(39-25)29(41)38-21-10-7-19(8-11-21)27(35)36)22-12-9-20(28(40)37-17-31(32,33)34)15-24(22)30(42)44-16-18-5-3-2-4-6-18/h2-15H,16-17H2,1H3,(H3,35,36)(H,37,40)(H,38,41)