methyl 3-bromanyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-2-oxidanyl-benzoate

Systemtic Name: methyl 3-bromanyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-2-oxidanyl-benzoate Openeye Name: methyl 3-bromo-6-[4-(tert-butoxycarbonylamino)butoxy]-2-hydroxy-benzoate CAS Name: 3-bromo-2-hydroxy-6-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-hydroxy-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate Traditional Name: 3-bromo-6-[4-(tert-butoxycarbonylamino)butoxy]-2-hydroxy-benzoic acid methyl ester Formula: C17H24BrNO6 MolecularWeight: 418.27956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCOC1=C(C(=C(C=C1)Br)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCOC1=C(C(=C(C=C1)Br)O)C(=O)OC

InChI

InChI=1S/C17H24BrNO6/c1-17(2,3)25-16(22)19-9-5-6-10-24-12-8-7-11(18)14(20)13(12)15(21)23-4/h7-8,20H,5-6,9-10H2,1-4H3,(H,19,22)