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

Systemtic Name: bis(phenylmethyl) 2-[4-[2-azanyl-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioate Openeye Name: dibenzyl 2-[4-[2-amino-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioate CAS Name: 2-[4-[2-amino-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[4-[2-amino-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioate Traditional Name: 2-[4-[2-amino-3-(amylamino)-3-keto-propyl]phenoxy]malonic acid dibenzyl ester Formula: C31H36N2O6 MolecularWeight: 532.62734

Click to see the large picture

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)N

Isomeric SMILES

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

InChI

InChI=1S/C31H36N2O6/c1-2-3-10-19-33-29(34)27(32)20-23-15-17-26(18-16-23)39-28(30(35)37-21-24-11-6-4-7-12-24)31(36)38-22-25-13-8-5-9-14-25/h4-9,11-18,27-28H,2-3,10,19-22,32H2,1H3,(H,33,34)