[4-[(3-ethylphenyl)methyl-phenylmethoxycarbonyl-amino]-1-(3-fluoranyl-5-prop-2-enoxy-phenyl)-3-oxidanyl-butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [4-[(3-ethylphenyl)methyl-phenylmethoxycarbonyl-amino]-1-(3-fluoranyl-5-prop-2-enoxy-phenyl)-3-oxidanyl-butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [1-[(3-allyloxy-5-fluoro-phenyl)methyl]-3-[benzyloxycarbonyl-[(3-ethylphenyl)methyl]amino]-2-hydroxy-propyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [4-[(3-ethylphenyl)methyl-phenylmethoxycarbonylamino]-1-(3-fluoro-5-prop-2-enoxyphenyl)-3-hydroxybutan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [4-[(3-ethylphenyl)methyl-phenylmethoxycarbonylamino]-1-(3-fluoro-5-prop-2-enoxyphenyl)-3-hydroxybutan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [1-(3-allyloxy-5-fluoro-benzyl)-3-[carbobenzoxy-(3-ethylbenzyl)amino]-2-hydroxy-propyl]ammonium; 2,2,2-trifluoroacetate Formula: C32H36F4N2O6 MolecularWeight: 620.631653

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CN(CC(C(CC2=CC(=CC(=C2)F)OCC=C)[NH3+])O)C(=O)OCC3=CC=CC=C3.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)CN(CC(C(CC2=CC(=CC(=C2)F)OCC=C)[NH3+])O)C(=O)OCC3=CC=CC=C3.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C30H35FN2O4.C2HF3O2/c1-3-13-36-27-16-25(15-26(31)18-27)17-28(32)29(34)20-33(19-24-12-8-11-22(4-2)14-24)30(35)37-21-23-9-6-5-7-10-23;3-2(4,5)1(6)7/h3,5-12,14-16,18,28-29,34H,1,4,13,17,19-21,32H2,2H3;(H,6,7)