4-[(4-iodophenyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-[(4-iodophenyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-(4-iodoanilino)-4-oxo-butanoic acid CAS Name: 4-(4-iodoanilino)-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-(4-iodoanilino)-4-oxobutanoic acid Traditional Name: 2-benzyl-4-(4-iodoanilino)-4-keto-butyric acid Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16INO3/c18-14-6-8-15(9-7-14)19-16(20)11-13(17(21)22)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,19,20)(H,21,22)