ethyl (2S)-3-(1H-indol-3-yl)-2-[[(Z)-octadec-9-enoyl]amino]propanoate

Systemtic Name: ethyl (2S)-3-(1H-indol-3-yl)-2-[[(Z)-octadec-9-enoyl]amino]propanoate Openeye Name: ethyl (2S)-3-(1H-indol-3-yl)-2-[[(Z)-octadec-9-enoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(Z)-1-oxooctadec-9-enyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(1H-indol-3-yl)-2-[[(Z)-octadec-9-enoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[(Z)-octadec-9-enoyl]amino]propionic acid ethyl ester Formula: C31H48N2O3 MolecularWeight: 496.72442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C31H48N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(34)33-29(31(35)36-4-2)24-26-25-32-28-22-20-19-21-27(26)28/h11-12,19-22,25,29,32H,3-10,13-18,23-24H2,1-2H3,(H,33,34)/b12-11-/t29-/m0/s1