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

Systemtic Name: bis(phenylmethyl) 2-[[4-[2-azanyl-3-oxidanylidene-3-(pentylamino)propyl]phenyl]methylidene]propanedioate Openeye Name: dibenzyl 2-[[4-[2-amino-3-oxo-3-(pentylamino)propyl]phenyl]methylene]propanedioate CAS Name: 2-[[4-[2-amino-3-oxo-3-(pentylamino)propyl]phenyl]methylidene]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[4-[2-amino-3-oxo-3-(pentylamino)propyl]phenyl]methylidene]propanedioate Traditional Name: 2-[4-[2-amino-3-(amylamino)-3-keto-propyl]benzylidene]malonic acid dibenzyl ester Formula: C32H36N2O5 MolecularWeight: 528.63864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H36N2O5/c1-2-3-10-19-34-30(35)29(33)21-25-17-15-24(16-18-25)20-28(31(36)38-22-26-11-6-4-7-12-26)32(37)39-23-27-13-8-5-9-14-27/h4-9,11-18,20,29H,2-3,10,19,21-23,33H2,1H3,(H,34,35)