tert-butyl N-[4-[(4-acetamido-5-iodanyl-2-methoxy-phenyl)carbonylamino]butyl]-N-butyl-carbamate

Systemtic Name: tert-butyl N-[4-[(4-acetamido-5-iodanyl-2-methoxy-phenyl)carbonylamino]butyl]-N-butyl-carbamate Openeye Name: tert-butyl N-[4-[(4-acetamido-5-iodo-2-methoxy-benzoyl)amino]butyl]-N-butyl-carbamate CAS Name: N-[4-[[(4-acetamido-5-iodo-2-methoxyphenyl)-oxomethyl]amino]butyl]-N-butylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(4-acetamido-5-iodo-2-methoxybenzoyl)amino]butyl]-N-butylcarbamate Traditional Name: N-[4-[(4-acetamido-5-iodo-2-methoxy-benzoyl)amino]butyl]-N-butyl-carbamic acid tert-butyl ester Formula: C23H36IN3O5 MolecularWeight: 561.45351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C)I)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCN(CCCCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C)I)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H36IN3O5/c1-7-8-12-27(22(30)32-23(3,4)5)13-10-9-11-25-21(29)17-14-18(24)19(26-16(2)28)15-20(17)31-6/h14-15H,7-13H2,1-6H3,(H,25,29)(H,26,28)