2-(benzotriazol-1-yl)-N-(2-bromophenyl)-2-ethoxy-3-(4-octadecoxyphenyl)-3-oxidanylidene-propanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-(2-bromophenyl)-2-ethoxy-3-(4-octadecoxyphenyl)-3-oxidanylidene-propanamide Openeye Name: 2-(benzotriazol-1-yl)-N-(2-bromophenyl)-2-ethoxy-3-(4-octadecoxyphenyl)-3-oxo-propanamide CAS Name: 2-(1-benzotriazolyl)-N-(2-bromophenyl)-2-ethoxy-3-(4-octadecoxyphenyl)-3-oxopropanamide IUPAC Name: 2-(benzotriazol-1-yl)-N-(2-bromophenyl)-2-ethoxy-3-(4-octadecoxyphenyl)-3-oxopropanamide Traditional Name: 2-(benzotriazol-1-yl)-N-(2-bromophenyl)-2-ethoxy-3-keto-3-(4-stearyloxyphenyl)propionamide Formula: C41H55BrN4O4 MolecularWeight: 747.8038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2Br)(N3C4=CC=CC=C4N=N3)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2Br)(N3C4=CC=CC=C4N=N3)OCC

InChI

InChI=1S/C41H55BrN4O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-49-34-30-28-33(29-31-34)39(47)41(50-4-2,40(48)43-36-25-20-19-24-35(36)42)46-38-27-22-21-26-37(38)44-45-46/h19-22,24-31H,3-18,23,32H2,1-2H3,(H,43,48)