bis(phenylmethyl) 2-[2,3,5,6-tetrakis(fluoranyl)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[2,3,5,6-tetrakis(fluoranyl)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioate Openeye Name: dibenzyl 2-[4-[2-(tert-butoxycarbonylamino)-3-oxo-3-(pentylamino)propyl]-2,3,5,6-tetrafluoro-phenoxy]propanedioate CAS Name: 2-[2,3,5,6-tetrafluoro-4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[2,3,5,6-tetrafluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioate Traditional Name: 2-[4-[3-(amylamino)-2-(tert-butoxycarbonylamino)-3-keto-propyl]-2,3,5,6-tetrafluoro-phenoxy]malonic acid dibenzyl ester Formula: C36H40F4N2O8 MolecularWeight: 704.705013

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=C(C(=C(C(=C1F)F)OC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)F)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=O)C(CC1=C(C(=C(C(=C1F)F)OC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H40F4N2O8/c1-5-6-13-18-41-32(43)25(42-35(46)50-36(2,3)4)19-24-26(37)28(39)30(29(40)27(24)38)49-31(33(44)47-20-22-14-9-7-10-15-22)34(45)48-21-23-16-11-8-12-17-23/h7-12,14-17,25,31H,5-6,13,18-21H2,1-4H3,(H,41,43)(H,42,46)