4-[(2-iodanylphenyl)amino]-3-[(3-methoxyphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-iodanylphenyl)amino]-3-[(3-methoxyphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-iodoanilino)-3-[(3-methoxyphenyl)methyl]-4-oxo-butanoic acid CAS Name: 4-(2-iodoanilino)-3-[(3-methoxyphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(2-iodoanilino)-3-[(3-methoxyphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(2-iodoanilino)-4-keto-3-m-anisyl-butyric acid Formula: C18H18INO4 MolecularWeight: 439.24429

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(CC(=O)O)C(=O)NC2=CC=CC=C2I

Isomeric SMILES

COC1=CC=CC(=C1)CC(CC(=O)O)C(=O)NC2=CC=CC=C2I

InChI

InChI=1S/C18H18INO4/c1-24-14-6-4-5-12(10-14)9-13(11-17(21)22)18(23)20-16-8-3-2-7-15(16)19/h2-8,10,13H,9,11H2,1H3,(H,20,23)(H,21,22)