tert-butyl N-[3-[(5-ethynyl-2-iodanyl-phenyl)carbonylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(5-ethynyl-2-iodanyl-phenyl)carbonylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(5-ethynyl-2-iodo-benzoyl)amino]propyl]carbamate CAS Name: N-[3-[[(5-ethynyl-2-iodophenyl)-oxomethyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(5-ethynyl-2-iodobenzoyl)amino]propyl]carbamate Traditional Name: N-[3-[(5-ethynyl-2-iodo-benzoyl)amino]propyl]carbamic acid tert-butyl ester Formula: C17H21IN2O3 MolecularWeight: 428.26471

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC(=O)C1=C(C=CC(=C1)C#C)I

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC(=O)C1=C(C=CC(=C1)C#C)I

InChI

InChI=1S/C17H21IN2O3/c1-5-12-7-8-14(18)13(11-12)15(21)19-9-6-10-20-16(22)23-17(2,3)4/h1,7-8,11H,6,9-10H2,2-4H3,(H,19,21)(H,20,22)