(E)-4-iodanyl-N-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]but-3-enamide

Systemtic Name: (E)-4-iodanyl-N-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]but-3-enamide Openeye Name: (E)-N-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-iodo-but-3-enamide CAS Name: (E)-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-iodo-3-butenamide IUPAC Name: (E)-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-iodobut-3-enamide Traditional Name: (E)-N-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-iodo-but-3-enamide Formula: C16H23IN2O3 MolecularWeight: 418.26989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)NC(=O)CC=CI)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C/C=C/I)O

InChI

InChI=1S/C16H23IN2O3/c1-12(2)18-10-14(20)11-22-15-7-5-13(6-8-15)19-16(21)4-3-9-17/h3,5-9,12,14,18,20H,4,10-11H2,1-2H3,(H,19,21)/b9-3+