6-[1-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 6-[1-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 6-[1-(2-benzyloxy-5-bromo-phenyl)ethyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 6-[1-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 6-[1-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 6-[1-(2-benzoxy-5-bromo-phenyl)ethyl-ethyl-amino]pyridazine-3-carboxylic acid Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NN=C(C=C1)C(=O)O)C(C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=NN=C(C=C1)C(=O)O)C(C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22BrN3O3/c1-3-26(21-12-10-19(22(27)28)24-25-21)15(2)18-13-17(23)9-11-20(18)29-14-16-7-5-4-6-8-16/h4-13,15H,3,14H2,1-2H3,(H,27,28)