ethyl 2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoyl]-phenethyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoyl]-phenethyl-amino]ethanoate Openeye Name: ethyl 2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoyl]-phenethyl-amino]acetate CAS Name: 2-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(4-bromophenyl)-2-methyl-1-oxopropyl]-phenethylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methylpropanoyl]-phenethylamino]acetate Traditional Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoyl]-phenethyl-amino]acetic acid ethyl ester Formula: C33H41BrN2O5 MolecularWeight: 625.59304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CCC1=CC=CC=C1)C(=O)C(C)(CC2=CC=C(C=C2)Br)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)CN(CCC1=CC=CC=C1)C(=O)C(C)(CC2=CC=C(C=C2)Br)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C33H41BrN2O5/c1-3-40-29(37)21-36(14-13-22-7-5-4-6-8-22)31(38)33(2,20-23-9-11-28(34)12-10-23)35-32(39)41-30-26-16-24-15-25(18-26)19-27(30)17-24/h4-12,24-27,30H,3,13-21H2,1-2H3,(H,35,39)