6-[[5-bromanyl-2-(2-methylpropoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 6-[[5-bromanyl-2-(2-methylpropoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 6-[(5-bromo-2-isobutoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 6-[(5-bromo-2-isobutoxy-benzyl)-ethyl-amino]pyridazine-3-carboxylic acid Formula: C18H22BrN3O3 MolecularWeight: 408.28958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC(C)C)C2=NN=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC(C)C)C2=NN=C(C=C2)C(=O)O

InChI

InChI=1S/C18H22BrN3O3/c1-4-22(17-8-6-15(18(23)24)20-21-17)10-13-9-14(19)5-7-16(13)25-11-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,23,24)