2-(butoxycarbonylamino)-3-(3-iodanyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-(butoxycarbonylamino)-3-(3-iodanyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(butoxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propanoic acid CAS Name: 2-[[butoxy(oxo)methyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid IUPAC Name: 2-(butoxycarbonylamino)-3-(4-hydroxy-3-iodophenyl)propanoic acid Traditional Name: 2-(butoxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propionic acid Formula: C14H18INO5 MolecularWeight: 407.20089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)O

InChI

InChI=1S/C14H18INO5/c1-2-3-6-21-14(20)16-11(13(18)19)8-9-4-5-12(17)10(15)7-9/h4-5,7,11,17H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)