tert-butyl N-[3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-phenylbutylamino)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-phenylbutylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(4-hydroxy-3-iodo-phenyl)methyl]-2-oxo-2-(4-phenylbutylamino)ethyl]carbamate CAS Name: N-[3-(4-hydroxy-3-iodophenyl)-1-oxo-1-(4-phenylbutylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-hydroxy-3-iodophenyl)-1-oxo-1-(4-phenylbutylamino)propan-2-yl]carbamate Traditional Name: N-[1-(4-hydroxy-3-iodo-benzyl)-2-keto-2-(4-phenylbutylamino)ethyl]carbamic acid tert-butyl ester Formula: C24H31IN2O4 MolecularWeight: 538.41841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C24H31IN2O4/c1-24(2,3)31-23(30)27-20(16-18-12-13-21(28)19(25)15-18)22(29)26-14-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,12-13,15,20,28H,7-8,11,14,16H2,1-3H3,(H,26,29)(H,27,30)