6-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-bromo-2,6-dimethyl-anilino)-6-oxo-hexanoic acid CAS Name: 6-(4-bromo-2,6-dimethylanilino)-6-oxohexanoic acid IUPAC Name: 6-(4-bromo-2,6-dimethylanilino)-6-oxohexanoic acid Traditional Name: 6-(4-bromo-2,6-dimethyl-anilino)-6-keto-hexanoic acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CCCCC(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CCCCC(=O)O)C)Br

InChI

InChI=1S/C14H18BrNO3/c1-9-7-11(15)8-10(2)14(9)16-12(17)5-3-4-6-13(18)19/h7-8H,3-6H2,1-2H3,(H,16,17)(H,18,19)