2-[[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(4-iodo-2-methyl-anilino)-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C14H19IN2O3 MolecularWeight: 390.21673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CNC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CNC(C(C)C)C(=O)O

InChI

InChI=1S/C14H19IN2O3/c1-8(2)13(14(19)20)16-7-12(18)17-11-5-4-10(15)6-9(11)3/h4-6,8,13,16H,7H2,1-3H3,(H,17,18)(H,19,20)