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

Systemtic Name: 3-[(3,5-dimethylphenyl)methyl]-4-[(4-iodophenyl)amino]-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 3-[(3,5-dimethylphenyl)methyl]-4-(4-iodoanilino)-2-methyl-4-oxo-butanoic acid CAS Name: 3-[(3,5-dimethylphenyl)methyl]-4-(4-iodoanilino)-2-methyl-4-oxobutanoic acid IUPAC Name: 3-[(3,5-dimethylphenyl)methyl]-4-(4-iodoanilino)-2-methyl-4-oxobutanoic acid Traditional Name: 3-(3,5-dimethylbenzyl)-4-(4-iodoanilino)-4-keto-2-methyl-butyric acid Formula: C20H22INO3 MolecularWeight: 451.29805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22INO3/c1-12-8-13(2)10-15(9-12)11-18(14(3)20(24)25)19(23)22-17-6-4-16(21)5-7-17/h4-10,14,18H,11H2,1-3H3,(H,22,23)(H,24,25)