(phenylmethyl) N-[4-[2-(cyclopropylamino)-1-oxidanyl-ethyl]-2-fluoranyl-6-iodanyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[2-(cyclopropylamino)-1-oxidanyl-ethyl]-2-fluoranyl-6-iodanyl-phenyl]carbamate Openeye Name: benzyl N-[4-[2-(cyclopropylamino)-1-hydroxy-ethyl]-2-fluoro-6-iodo-phenyl]carbamate CAS Name: N-[4-[2-(cyclopropylamino)-1-hydroxyethyl]-2-fluoro-6-iodophenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[2-(cyclopropylamino)-1-hydroxyethyl]-2-fluoro-6-iodophenyl]carbamate Traditional Name: N-[4-[2-(cyclopropylamino)-1-hydroxy-ethyl]-2-fluoro-6-iodo-phenyl]carbamic acid benzyl ester Formula: C19H20FIN2O3 MolecularWeight: 470.276573

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCC(C2=CC(=C(C(=C2)I)NC(=O)OCC3=CC=CC=C3)F)O

Isomeric SMILES

C1CC1NCC(C2=CC(=C(C(=C2)I)NC(=O)OCC3=CC=CC=C3)F)O

InChI

InChI=1S/C19H20FIN2O3/c20-15-8-13(17(24)10-22-14-6-7-14)9-16(21)18(15)23-19(25)26-11-12-4-2-1-3-5-12/h1-5,8-9,14,17,22,24H,6-7,10-11H2,(H,23,25)