6-[(5-bromanyl-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 6-[(5-bromanyl-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 6-[(5-bromo-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(1-cyclohex-2-enyloxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 6-[(5-bromo-2-cyclohex-2-en-1-yloxy-benzyl)-ethyl-amino]pyridazine-3-carboxylic acid Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OC2CCCC=C2)C3=NN=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OC2CCCC=C2)C3=NN=C(C=C3)C(=O)O

InChI

InChI=1S/C20H22BrN3O3/c1-2-24(19-11-9-17(20(25)26)22-23-19)13-14-12-15(21)8-10-18(14)27-16-6-4-3-5-7-16/h4,6,8-12,16H,2-3,5,7,13H2,1H3,(H,25,26)