5-bromanyl-2-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid

Systemtic Name: 5-bromanyl-2-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid Openeye Name: 5-bromo-2-[1-methyl-2-oxo-2-(sec-butylamino)ethoxy]benzoic acid CAS Name: 5-bromo-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid IUPAC Name: 5-bromo-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid Traditional Name: 5-bromo-2-[2-keto-1-methyl-2-(sec-butylamino)ethoxy]benzoic acid Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)OC1=C(C=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)C(C)OC1=C(C=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C14H18BrNO4/c1-4-8(2)16-13(17)9(3)20-12-6-5-10(15)7-11(12)14(18)19/h5-9H,4H2,1-3H3,(H,16,17)(H,18,19)