2-azanyl-3-[4-(3-butyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(3-butyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(3-butyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(3-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(3-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(3-butyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C19H21I2NO4 MolecularWeight: 581.18328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)O

InChI

InChI=1S/C19H21I2NO4/c1-2-3-4-12-10-13(5-6-17(12)23)26-18-14(20)7-11(8-15(18)21)9-16(22)19(24)25/h5-8,10,16,23H,2-4,9,22H2,1H3,(H,24,25)