methyl 2-(butanoylamino)-3-(3-iodanyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: methyl 2-(butanoylamino)-3-(3-iodanyl-4-oxidanyl-phenyl)propanoate Openeye Name: methyl 2-(butanoylamino)-3-(4-hydroxy-3-iodo-phenyl)propanoate CAS Name: 3-(4-hydroxy-3-iodophenyl)-2-(1-oxobutylamino)propanoic acid methyl ester IUPAC Name: methyl 2-(butanoylamino)-3-(4-hydroxy-3-iodophenyl)propanoate Traditional Name: 2-butyramido-3-(4-hydroxy-3-iodo-phenyl)propionic acid methyl ester Formula: C14H18INO4 MolecularWeight: 391.20149

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)OC

Isomeric SMILES

CCCC(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)OC

InChI

InChI=1S/C14H18INO4/c1-3-4-13(18)16-11(14(19)20-2)8-9-5-6-12(17)10(15)7-9/h5-7,11,17H,3-4,8H2,1-2H3,(H,16,18)