bis[2,6-bis(propanoylamino)pyridin-4-yl] (Z)-docos-11-enedioate

Systemtic Name: bis[2,6-bis(propanoylamino)pyridin-4-yl] (Z)-docos-11-enedioate Openeye Name: bis[2,6-bis(propanoylamino)-4-pyridyl] (Z)-docos-11-enedioate CAS Name: (Z)-11-docosenedioic acid bis[2,6-bis(1-oxopropylamino)-4-pyridinyl] ester IUPAC Name: bis[2,6-bis(propanoylamino)pyridin-4-yl] (Z)-docos-11-enedioate Traditional Name: (Z)-docos-11-enedioic acid bis(2,6-dipropionamido-4-pyridyl) ester Formula: C44H66N6O8 MolecularWeight: 807.03024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC(=N1)NC(=O)CC)OC(=O)CCCCCCCCCC=CCCCCCCCCCC(=O)OC2=CC(=NC(=C2)NC(=O)CC)NC(=O)CC

Isomeric SMILES

CCC(=O)NC1=CC(=CC(=N1)NC(=O)CC)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC(=O)OC2=CC(=NC(=C2)NC(=O)CC)NC(=O)CC

InChI

InChI=1S/C44H66N6O8/c1-5-39(51)47-35-29-33(30-36(45-35)48-40(52)6-2)57-43(55)27-25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-28-44(56)58-34-31-37(49-41(53)7-3)46-38(32-34)50-42(54)8-4/h9-10,29-32H,5-8,11-28H2,1-4H3,(H2,45,47,48,51,52)(H2,46,49,50,53,54)/b10-9-