[2-acetyloxy-3-(2-azanyl-5-iodanyl-4-pentyl-phenyl)propyl] ethanoate

Systemtic Name: [2-acetyloxy-3-(2-azanyl-5-iodanyl-4-pentyl-phenyl)propyl] ethanoate Openeye Name: [2-acetoxy-3-(2-amino-5-iodo-4-pentyl-phenyl)propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-(2-amino-5-iodo-4-pentylphenyl)propyl] ester IUPAC Name: [2-acetyloxy-3-(2-amino-5-iodo-4-pentylphenyl)propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-(2-amino-4-amyl-5-iodo-phenyl)propyl] ester Formula: C18H26INO4 MolecularWeight: 447.30781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1I)CC(COC(=O)C)OC(=O)C)N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1I)CC(COC(=O)C)OC(=O)C)N

InChI

InChI=1S/C18H26INO4/c1-4-5-6-7-14-10-18(20)15(9-17(14)19)8-16(24-13(3)22)11-23-12(2)21/h9-10,16H,4-8,11,20H2,1-3H3