ethyl 6-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]carbonylamino]hexanoate

Systemtic Name: ethyl 6-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]carbonylamino]hexanoate Openeye Name: ethyl 6-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carbonyl]amino]hexanoate CAS Name: 6-[[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carbonyl]amino]hexanoate Traditional Name: 6-[[4-(4-acetamidobenzyl)-1,4-diazepane-1-carbonyl]amino]hexanoic acid ethyl ester Formula: C23H36N4O4 MolecularWeight: 432.55634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C23H36N4O4/c1-3-31-22(29)8-5-4-6-13-24-23(30)27-15-7-14-26(16-17-27)18-20-9-11-21(12-10-20)25-19(2)28/h9-12H,3-8,13-18H2,1-2H3,(H,24,30)(H,25,28)