ethyl 2-[[4-(16-bromanylhexadecylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(16-bromanylhexadecylamino)phenyl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-(16-bromohexadecylamino)benzoyl]amino]acetate CAS Name: 2-[[[4-(16-bromohexadecylamino)phenyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(16-bromohexadecylamino)benzoyl]amino]acetate Traditional Name: 2-[[4-(16-bromohexadecylamino)benzoyl]amino]acetic acid ethyl ester Formula: C27H45BrN2O3 MolecularWeight: 525.5618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCBr

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C27H45BrN2O3/c1-2-33-26(31)23-30-27(32)24-17-19-25(20-18-24)29-22-16-14-12-10-8-6-4-3-5-7-9-11-13-15-21-28/h17-20,29H,2-16,21-23H2,1H3,(H,30,32)