2-[4-[4-(2-iodanylimidazol-1-yl)butyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[4-(2-iodanylimidazol-1-yl)butyl]phenyl]ethanoic acid Openeye Name: 2-[4-[4-(2-iodoimidazol-1-yl)butyl]phenyl]acetic acid CAS Name: 2-[4-[4-(2-iodo-1-imidazolyl)butyl]phenyl]acetic acid IUPAC Name: 2-[4-[4-(2-iodoimidazol-1-yl)butyl]phenyl]acetic acid Traditional Name: 2-[4-[4-(2-iodoimidazol-1-yl)butyl]phenyl]acetic acid Formula: C15H17IN2O2 MolecularWeight: 384.21215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCN2C=CN=C2I)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCN2C=CN=C2I)CC(=O)O

InChI

InChI=1S/C15H17IN2O2/c16-15-17-8-10-18(15)9-2-1-3-12-4-6-13(7-5-12)11-14(19)20/h4-8,10H,1-3,9,11H2,(H,19,20)