2-[[2-azanyl-3-[(2-methylpropan-2-yl)oxy]propyl]amino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[2-azanyl-3-[(2-methylpropan-2-yl)oxy]propyl]amino]-5-bromanyl-benzoic acid Openeye Name: 2-[(2-amino-3-tert-butoxy-propyl)amino]-5-bromo-benzoic acid CAS Name: 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]propyl]amino]-5-bromobenzoic acid IUPAC Name: 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]propyl]amino]-5-bromobenzoic acid Traditional Name: 2-[(2-amino-3-tert-butoxy-propyl)amino]-5-bromo-benzoic acid Formula: C14H21BrN2O3 MolecularWeight: 345.23214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(CNC1=C(C=C(C=C1)Br)C(=O)O)N

Isomeric SMILES

CC(C)(C)OCC(CNC1=C(C=C(C=C1)Br)C(=O)O)N

InChI

InChI=1S/C14H21BrN2O3/c1-14(2,3)20-8-10(16)7-17-12-5-4-9(15)6-11(12)13(18)19/h4-6,10,17H,7-8,16H2,1-3H3,(H,18,19)