4-[(4-bromanyl-3-methyl-phenyl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-bromanyl-3-methyl-phenyl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromo-3-methyl-anilino)-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-(4-bromo-3-methylanilino)-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-(4-bromo-3-methylanilino)-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-(4-bromo-3-methyl-anilino)-2,2-diethyl-4-keto-butyric acid Formula: C15H20BrNO3 MolecularWeight: 342.2282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC(=C(C=C1)Br)C)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC(=C(C=C1)Br)C)C(=O)O

InChI

InChI=1S/C15H20BrNO3/c1-4-15(5-2,14(19)20)9-13(18)17-11-6-7-12(16)10(3)8-11/h6-8H,4-5,9H2,1-3H3,(H,17,18)(H,19,20)