2-(butylamino)-3-(4-iodophenyl)propanoic acid

Systemtic Name: 2-(butylamino)-3-(4-iodophenyl)propanoic acid Openeye Name: 2-(butylamino)-3-(4-iodophenyl)propanoic acid CAS Name: 2-(butylamino)-3-(4-iodophenyl)propanoic acid IUPAC Name: 2-(butylamino)-3-(4-iodophenyl)propanoic acid Traditional Name: 2-(butylamino)-3-(4-iodophenyl)propionic acid Formula: C13H18INO2 MolecularWeight: 347.19199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CC1=CC=C(C=C1)I)C(=O)O

Isomeric SMILES

CCCCNC(CC1=CC=C(C=C1)I)C(=O)O

InChI

InChI=1S/C13H18INO2/c1-2-3-8-15-12(13(16)17)9-10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,17)