ethyl 3-dodecanoyl-1-(8-ethoxy-8-oxidanylidene-octyl)indole-2-carboxylate

Systemtic Name: ethyl 3-dodecanoyl-1-(8-ethoxy-8-oxidanylidene-octyl)indole-2-carboxylate Openeye Name: ethyl 3-dodecanoyl-1-(8-ethoxy-8-oxo-octyl)indole-2-carboxylate CAS Name: 1-(8-ethoxy-8-oxooctyl)-3-(1-oxododecyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-dodecanoyl-1-(8-ethoxy-8-oxooctyl)indole-2-carboxylate Traditional Name: 1-(8-ethoxy-8-keto-octyl)-3-lauroyl-indole-2-carboxylic acid ethyl ester Formula: C33H51NO5 MolecularWeight: 541.76174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCCCC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCCCC(=O)OCC)C(=O)OCC

InChI

InChI=1S/C33H51NO5/c1-4-7-8-9-10-11-12-14-17-24-29(35)31-27-22-19-20-23-28(27)34(32(31)33(37)39-6-3)26-21-16-13-15-18-25-30(36)38-5-2/h19-20,22-23H,4-18,21,24-26H2,1-3H3