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

Systemtic Name: bis(phenylmethyl) 2-[4-[3-azanyl-4-oxidanylidene-4-(pentylamino)butyl]phenoxy]propanedioate Openeye Name: dibenzyl 2-[4-[3-amino-4-oxo-4-(pentylamino)butyl]phenoxy]propanedioate CAS Name: 2-[4-[3-amino-4-oxo-4-(pentylamino)butyl]phenoxy]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[4-[3-amino-4-oxo-4-(pentylamino)butyl]phenoxy]propanedioate Traditional Name: 2-[4-[3-amino-4-(amylamino)-4-keto-butyl]phenoxy]malonic acid dibenzyl ester Formula: C32H38N2O6 MolecularWeight: 546.65392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CCC1=CC=C(C=C1)OC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCCCCNC(=O)C(CCC1=CC=C(C=C1)OC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C32H38N2O6/c1-2-3-10-21-34-30(35)28(33)20-17-24-15-18-27(19-16-24)40-29(31(36)38-22-25-11-6-4-7-12-25)32(37)39-23-26-13-8-5-9-14-26/h4-9,11-16,18-19,28-29H,2-3,10,17,20-23,33H2,1H3,(H,34,35)