[3-[(2,4-dimethoxyphenyl)methyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-1,4-dimethoxy-1,4-bis(oxidanylidene)butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [3-[(2,4-dimethoxyphenyl)methyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-1,4-dimethoxy-1,4-bis(oxidanylidene)butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)-[(2,4-dimethoxyphenyl)methyl]carbamoyl]-3-methoxy-1-methoxycarbonyl-3-oxo-propyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [3-[[(2,4-dimethoxyphenyl)methyl-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-1,4-dimethoxy-1,4-dioxobutan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [3-[(2,4-dimethoxyphenyl)methyl-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-1,4-dimethoxy-1,4-dioxobutan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [2-[(1-benzyl-2-hydroxy-2-keto-ethyl)-(2,4-dimethoxybenzyl)carbamoyl]-1-carbomethoxy-3-keto-3-methoxy-propyl]ammonium; 2,2,2-trifluoroacetate Formula: C27H31F3N2O11 MolecularWeight: 616.53705

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C(C(C(=O)OC)[NH3+])C(=O)OC)OC.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C(C(C(=O)OC)[NH3+])C(=O)OC)OC.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C25H30N2O9.C2HF3O2/c1-33-17-11-10-16(19(13-17)34-2)14-27(18(23(29)30)12-15-8-6-5-7-9-15)22(28)20(24(31)35-3)21(26)25(32)36-4;3-2(4,5)1(6)7/h5-11,13,18,20-21H,12,14,26H2,1-4H3,(H,29,30);(H,6,7)