[(E)-octadec-9-enyl] 2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: [(E)-octadec-9-enyl] 2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: [(E)-octadec-9-enyl] 2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(1-oxododecylamino)propanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(lauroylamino)propionic acid [(E)-octadec-9-enyl] ester Formula: C41H68N2O3 MolecularWeight: 636.99022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C41H68N2O3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-29-33-46-41(45)39(34-36-35-42-38-31-28-27-30-37(36)38)43-40(44)32-26-24-22-20-12-10-8-6-4-2/h15-16,27-28,30-31,35,39,42H,3-14,17-26,29,32-34H2,1-2H3,(H,43,44)/b16-15+