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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(CC(=O)NC2=CC=C(C=C2)I)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC(CC(=O)NC2=CC=C(C=C2)I)C(=O)O

InChI

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