3-[(3,5-dimethylphenyl)methyl]-4-[(2-iodanylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)methyl]-4-[(2-iodanylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(3,5-dimethylphenyl)methyl]-4-(2-iodoanilino)-4-oxo-butanoic acid CAS Name: 3-[(3,5-dimethylphenyl)methyl]-4-(2-iodoanilino)-4-oxobutanoic acid IUPAC Name: 3-[(3,5-dimethylphenyl)methyl]-4-(2-iodoanilino)-4-oxobutanoic acid Traditional Name: 3-(3,5-dimethylbenzyl)-4-(2-iodoanilino)-4-keto-butyric acid Formula: C19H20INO3 MolecularWeight: 437.27147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20INO3/c1-12-7-13(2)9-14(8-12)10-15(11-18(22)23)19(24)21-17-6-4-3-5-16(17)20/h3-9,15H,10-11H2,1-2H3,(H,21,24)(H,22,23)