(E)-4-iodanyl-N-[4-(3-oxidanylpropoxy)phenyl]but-3-enamide; propan-2-amine

Systemtic Name: (E)-4-iodanyl-N-[4-(3-oxidanylpropoxy)phenyl]but-3-enamide; propan-2-amine Openeye Name: (E)-N-[4-(3-hydroxypropoxy)phenyl]-4-iodo-but-3-enamide; propan-2-amine CAS Name: (E)-N-[4-(3-hydroxypropoxy)phenyl]-4-iodo-3-butenamide; 2-propanamine IUPAC Name: (E)-N-[4-(3-hydroxypropoxy)phenyl]-4-iodobut-3-enamide; propan-2-amine Traditional Name: (E)-N-[4-(3-hydroxypropoxy)phenyl]-4-iodo-but-3-enamide; isopropylamine Formula: C16H25IN2O3 MolecularWeight: 420.28577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N.C1=CC(=CC=C1NC(=O)CC=CI)OCCCO

Isomeric SMILES

CC(C)N.C1=CC(=CC=C1NC(=O)C/C=C/I)OCCCO

InChI

InChI=1S/C13H16INO3.C3H9N/c14-8-1-3-13(17)15-11-4-6-12(7-5-11)18-10-2-9-16;1-3(2)4/h1,4-8,16H,2-3,9-10H2,(H,15,17);3H,4H2,1-2H3/b8-1+;