ethyl 2-(1-methyl-3-octadecanoyl-indol-2-yl)ethanoate

Systemtic Name: ethyl 2-(1-methyl-3-octadecanoyl-indol-2-yl)ethanoate Openeye Name: ethyl 2-(1-methyl-3-octadecanoyl-indol-2-yl)acetate CAS Name: 2-[1-methyl-3-(1-oxooctadecyl)-2-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-methyl-3-octadecanoylindol-2-yl)acetate Traditional Name: 2-(1-methyl-3-stearoyl-indol-2-yl)acetic acid ethyl ester Formula: C31H49NO3 MolecularWeight: 483.72566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)C)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)C)CC(=O)OCC

InChI

InChI=1S/C31H49NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29(33)31-26-22-20-21-23-27(26)32(3)28(31)25-30(34)35-5-2/h20-23H,4-19,24-25H2,1-3H3