tert-butyl N-[3-oxidanyl-1,8-diphenyl-5-[(1-propan-2-ylimidazol-2-yl)methylcarbamoyl]oct-7-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanyl-1,8-diphenyl-5-[(1-propan-2-ylimidazol-2-yl)methylcarbamoyl]oct-7-yn-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-hydroxy-4-[(1-isopropylimidazol-2-yl)methylcarbamoyl]-7-phenyl-hept-6-ynyl]carbamate CAS Name: N-[3-hydroxy-5-[oxo-[(1-propan-2-yl-2-imidazolyl)methylamino]methyl]-1,8-diphenyloct-7-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-hydroxy-1,8-diphenyl-5-[(1-propan-2-ylimidazol-2-yl)methylcarbamoyl]oct-7-yn-2-yl]carbamate Traditional Name: N-[1-benzyl-2-hydroxy-4-[(1-isopropylimidazol-2-yl)methylcarbamoyl]-7-phenyl-hept-6-ynyl]carbamic acid tert-butyl ester Formula: C33H42N4O4 MolecularWeight: 558.71098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CN=C1CNC(=O)C(CC#CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)N1C=CN=C1CNC(=O)C(CC#CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C33H42N4O4/c1-24(2)37-20-19-34-30(37)23-35-31(39)27(18-12-17-25-13-8-6-9-14-25)22-29(38)28(21-26-15-10-7-11-16-26)36-32(40)41-33(3,4)5/h6-11,13-16,19-20,24,27-29,38H,18,21-23H2,1-5H3,(H,35,39)(H,36,40)