(E)-5-iodanyl-N-[4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]pent-4-enamide

Systemtic Name: (E)-5-iodanyl-N-[4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]pent-4-enamide Openeye Name: (E)-N-[4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl]-5-iodanyl-pent-4-enamide CAS Name: (E)-N-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-5-iodanyl-4-pentenamide IUPAC Name: (E)-N-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-5-iodanylpent-4-enamide Traditional Name: (E)-N-[4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl]-5-iodanyl-pent-4-enamide Formula: C17H25IN2O3 MolecularWeight: 430.296624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC[C@@H](COC1=CC=C(C=C1)NC(=O)CC/C=C/[125I])O

InChI

InChI=1S/C17H25IN2O3/c1-13(2)19-11-15(21)12-23-16-8-6-14(7-9-16)20-17(22)5-3-4-10-18/h4,6-10,13,15,19,21H,3,5,11-12H2,1-2H3,(H,20,22)/b10-4+/t15-/m0/s1/i18-2