tert-butyl N-[2-[4-(3-azanylpropoxy)-3-iodanyl-phenyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-(3-azanylpropoxy)-3-iodanyl-phenyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-(3-aminopropoxy)-3-iodo-phenyl]ethyl]carbamate CAS Name: N-[2-[4-(3-aminopropoxy)-3-iodophenyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-(3-aminopropoxy)-3-iodophenyl]ethyl]carbamate Traditional Name: N-[2-[4-(3-aminopropoxy)-3-iodo-phenyl]ethyl]carbamic acid tert-butyl ester Formula: C16H25IN2O3 MolecularWeight: 420.28577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1)OCCCN)I

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1)OCCCN)I

InChI

InChI=1S/C16H25IN2O3/c1-16(2,3)22-15(20)19-9-7-12-5-6-14(13(17)11-12)21-10-4-8-18/h5-6,11H,4,7-10,18H2,1-3H3,(H,19,20)