6-[(5-bromanyl-2-prop-2-enoxy-phenyl)methyl-ethyl-amino]-4-ethyl-pyridazine-3-carboxylic acid

Systemtic Name: 6-[(5-bromanyl-2-prop-2-enoxy-phenyl)methyl-ethyl-amino]-4-ethyl-pyridazine-3-carboxylic acid Openeye Name: 6-[(2-allyloxy-5-bromo-phenyl)methyl-ethyl-amino]-4-ethyl-pyridazine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-prop-2-enoxyphenyl)methyl-ethylamino]-4-ethyl-3-pyridazinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-prop-2-enoxyphenyl)methyl-ethylamino]-4-ethylpyridazine-3-carboxylic acid Traditional Name: 6-[(2-allyloxy-5-bromo-benzyl)-ethyl-amino]-4-ethyl-pyridazine-3-carboxylic acid Formula: C19H22BrN3O3 MolecularWeight: 420.30028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN=C1C(=O)O)N(CC)CC2=C(C=CC(=C2)Br)OCC=C

Isomeric SMILES

CCC1=CC(=NN=C1C(=O)O)N(CC)CC2=C(C=CC(=C2)Br)OCC=C

InChI

InChI=1S/C19H22BrN3O3/c1-4-9-26-16-8-7-15(20)10-14(16)12-23(6-3)17-11-13(5-2)18(19(24)25)22-21-17/h4,7-8,10-11H,1,5-6,9,12H2,2-3H3,(H,24,25)