[2-heptadecyl-6-[3-(1H-indol-3-yl)propanoyloxy]phenyl] 3-(1H-indol-2-yl)propanoate

Systemtic Name: [2-heptadecyl-6-[3-(1H-indol-3-yl)propanoyloxy]phenyl] 3-(1H-indol-2-yl)propanoate Openeye Name: [2-heptadecyl-6-[3-(1H-indol-3-yl)propanoyloxy]phenyl] 3-(1H-indol-2-yl)propanoate CAS Name: 3-(1H-indol-2-yl)propanoic acid [2-heptadecyl-6-[3-(1H-indol-3-yl)-1-oxopropoxy]phenyl] ester IUPAC Name: [2-heptadecyl-6-[3-(1H-indol-3-yl)propanoyloxy]phenyl] 3-(1H-indol-2-yl)propanoate Traditional Name: 3-(1H-indol-2-yl)propionic acid [2-heptadecyl-6-[3-(1H-indol-3-yl)propanoyloxy]phenyl] ester Formula: C45H58N2O4 MolecularWeight: 690.95302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(=O)CCC2=CNC3=CC=CC=C32)OC(=O)CCC4=CC5=CC=CC=C5N4

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(=O)CCC2=CNC3=CC=CC=C32)OC(=O)CCC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C45H58N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-35-24-21-28-42(50-43(48)31-29-37-34-46-41-27-20-18-25-39(37)41)45(35)51-44(49)32-30-38-33-36-23-17-19-26-40(36)47-38/h17-21,23-28,33-34,46-47H,2-16,22,29-32H2,1H3