1-benzofuran-2-ylmethyl N-[3-[1-[2-(iodanylmethyl)phenyl]carbonylindol-3-yl]-2-methyl-1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl]carbamate

Systemtic Name: 1-benzofuran-2-ylmethyl N-[3-[1-[2-(iodanylmethyl)phenyl]carbonylindol-3-yl]-2-methyl-1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl]carbamate Openeye Name: benzofuran-2-ylmethyl N-[1-[[1-[2-(iodomethyl)benzoyl]indol-3-yl]methyl]-1-methyl-2-oxo-2-(1-phenylethylamino)ethyl]carbamate CAS Name: N-[3-[1-[[2-(iodomethyl)phenyl]-oxomethyl]-3-indolyl]-2-methyl-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamic acid 2-benzofuranylmethyl ester IUPAC Name: 1-benzofuran-2-ylmethyl N-[3-[1-[2-(iodomethyl)benzoyl]indol-3-yl]-2-methyl-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate Traditional Name: N-[1-[[1-[2-(iodomethyl)benzoyl]indol-3-yl]methyl]-2-keto-1-methyl-2-(1-phenylethylamino)ethyl]carbamic acid benzofuran-2-ylmethyl ester Formula: C38H34IN3O5 MolecularWeight: 739.59813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CN(C3=CC=CC=C32)C(=O)C4=CC=CC=C4CI)NC(=O)OCC5=CC6=CC=CC=C6O5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CN(C3=CC=CC=C32)C(=O)C4=CC=CC=C4CI)NC(=O)OCC5=CC6=CC=CC=C6O5

InChI

InChI=1S/C38H34IN3O5/c1-25(26-12-4-3-5-13-26)40-36(44)38(2,41-37(45)46-24-30-20-27-14-7-11-19-34(27)47-30)21-29-23-42(33-18-10-9-16-31(29)33)35(43)32-17-8-6-15-28(32)22-39/h3-20,23,25H,21-22,24H2,1-2H3,(H,40,44)(H,41,45)