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

Systemtic Name: 4-[(2-iodanylphenyl)amino]-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-iodoanilino)-4-oxo-3-(p-tolylmethyl)butanoic acid CAS Name: 4-(2-iodoanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(2-iodoanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(2-iodoanilino)-4-keto-3-(4-methylbenzyl)butyric acid Formula: C18H18INO3 MolecularWeight: 423.24489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC=CC=C2I

Isomeric SMILES

CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC=CC=C2I

InChI

InChI=1S/C18H18INO3/c1-12-6-8-13(9-7-12)10-14(11-17(21)22)18(23)20-16-5-3-2-4-15(16)19/h2-9,14H,10-11H2,1H3,(H,20,23)(H,21,22)