4-bromanyl-2-[methyl(oxan-4-yl)amino]benzoic acid

Systemtic Name: 4-bromanyl-2-[methyl(oxan-4-yl)amino]benzoic acid Openeye Name: 4-bromo-2-[methyl(tetrahydropyran-4-yl)amino]benzoic acid CAS Name: 4-bromo-2-[methyl(4-oxanyl)amino]benzoic acid IUPAC Name: 4-bromo-2-[methyl(oxan-4-yl)amino]benzoic acid Traditional Name: 4-bromo-2-[methyl(tetrahydropyran-4-yl)amino]benzoic acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C2=C(C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CN(C1CCOCC1)C2=C(C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO3/c1-15(10-4-6-18-7-5-10)12-8-9(14)2-3-11(12)13(16)17/h2-3,8,10H,4-7H2,1H3,(H,16,17)