2-(5-tert-butyl-3-iodanyl-2-oxidanyl-phenyl)-2-[(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-(5-tert-butyl-3-iodanyl-2-oxidanyl-phenyl)-2-[(phenylmethyl)amino]ethanoic acid Openeye Name: 2-(benzylamino)-2-(5-tert-butyl-2-hydroxy-3-iodanyl-phenyl)acetic acid CAS Name: 2-(5-tert-butyl-2-hydroxy-3-iodanylphenyl)-2-[(phenylmethyl)amino]acetic acid IUPAC Name: 2-(benzylamino)-2-(5-tert-butyl-2-hydroxy-3-iodanylphenyl)acetic acid Traditional Name: 2-(benzylamino)-2-(5-tert-butyl-2-hydroxy-3-iodanyl-phenyl)acetic acid Formula: C19H22INO3 MolecularWeight: 435.288478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)I)O)C(C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)[123I])O)C(C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H22INO3/c1-19(2,3)13-9-14(17(22)15(20)10-13)16(18(23)24)21-11-12-7-5-4-6-8-12/h4-10,16,21-22H,11H2,1-3H3,(H,23,24)/i20-4