3-(3-iodanyl-4-oxidanyl-phenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]propanamide

Systemtic Name: 3-(3-iodanyl-4-oxidanyl-phenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]propanamide Openeye Name: 3-(4-hydroxy-3-iodo-phenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide CAS Name: 3-(4-hydroxy-3-iodophenyl)-2-[2-(3-hydroxypropylamino)-1-benzimidazolyl]propanamide IUPAC Name: 3-(4-hydroxy-3-iodophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide Traditional Name: 3-(4-hydroxy-3-iodo-phenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propionamide Formula: C19H21IN4O3 MolecularWeight: 480.29951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C(CC3=CC(=C(C=C3)O)I)C(=O)N)NCCCO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C(CC3=CC(=C(C=C3)O)I)C(=O)N)NCCCO

InChI

InChI=1S/C19H21IN4O3/c20-13-10-12(6-7-17(13)26)11-16(18(21)27)24-15-5-2-1-4-14(15)23-19(24)22-8-3-9-25/h1-2,4-7,10,16,25-26H,3,8-9,11H2,(H2,21,27)(H,22,23)