bis(phenylmethyl) 2-[4-[2-azanyl-3-oxidanylidene-3-(pentylamino)propyl]-2-fluoranyl-phenoxy]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[4-[2-azanyl-3-oxidanylidene-3-(pentylamino)propyl]-2-fluoranyl-phenoxy]propanedioate Openeye Name: dibenzyl 2-[4-[2-amino-3-oxo-3-(pentylamino)propyl]-2-fluoro-phenoxy]propanedioate CAS Name: 2-[4-[2-amino-3-oxo-3-(pentylamino)propyl]-2-fluorophenoxy]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[4-[2-amino-3-oxo-3-(pentylamino)propyl]-2-fluorophenoxy]propanedioate Traditional Name: 2-[4-[2-amino-3-(amylamino)-3-keto-propyl]-2-fluoro-phenoxy]malonic acid dibenzyl ester Formula: C31H35FN2O6 MolecularWeight: 550.617803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC(=C(C=C1)OC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)F)N

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC(=C(C=C1)OC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)F)N

InChI

InChI=1S/C31H35FN2O6/c1-2-3-10-17-34-29(35)26(33)19-24-15-16-27(25(32)18-24)40-28(30(36)38-20-22-11-6-4-7-12-22)31(37)39-21-23-13-8-5-9-14-23/h4-9,11-16,18,26,28H,2-3,10,17,19-21,33H2,1H3,(H,34,35)