2-[3-(butanoylamino)-2,4-bis(iodanyl)phenoxy]butanoic acid

Systemtic Name: 2-[3-(butanoylamino)-2,4-bis(iodanyl)phenoxy]butanoic acid Openeye Name: 2-[3-(butanoylamino)-2,4-diiodo-phenoxy]butanoic acid CAS Name: 2-[2,4-diiodo-3-(1-oxobutylamino)phenoxy]butanoic acid IUPAC Name: 2-[3-(butanoylamino)-2,4-diiodophenoxy]butanoic acid Traditional Name: 2-(3-butyramido-2,4-diiodo-phenoxy)butyric acid Formula: C14H17I2NO4 MolecularWeight: 517.09802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1I)OC(CC)C(=O)O)I

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1I)OC(CC)C(=O)O)I

InChI

InChI=1S/C14H17I2NO4/c1-3-5-11(18)17-13-8(15)6-7-10(12(13)16)21-9(4-2)14(19)20/h6-7,9H,3-5H2,1-2H3,(H,17,18)(H,19,20)