bis(phenylmethyl) 2-[3,8,12-tris(azanyl)-11-oxidanylidene-heptadecyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[3,8,12-tris(azanyl)-11-oxidanylidene-heptadecyl]propanedioate Openeye Name: dibenzyl 2-(3,8,12-triamino-11-oxo-heptadecyl)propanedioate CAS Name: 2-(3,8,12-triamino-11-oxoheptadecyl)propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(3,8,12-triamino-11-oxoheptadecyl)propanedioate Traditional Name: 2-(3,8,12-triamino-11-keto-heptadecyl)malonic acid dibenzyl ester Formula: C34H51N3O5 MolecularWeight: 581.78584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)CCC(CCCCC(CCC(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N)N)N

Isomeric SMILES

CCCCCC(C(=O)CCC(CCCCC(CCC(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N)N)N

InChI

InChI=1S/C34H51N3O5/c1-2-3-6-19-31(37)32(38)23-21-29(36)18-12-11-17-28(35)20-22-30(33(39)41-24-26-13-7-4-8-14-26)34(40)42-25-27-15-9-5-10-16-27/h4-5,7-10,13-16,28-31H,2-3,6,11-12,17-25,35-37H2,1H3