2-[(5-bromanyl-2-prop-2-enoxy-phenyl)methyl]-4-ethyl-5-(ethylamino)-1H-pyridazine-6-carboxylic acid

Systemtic Name: 2-[(5-bromanyl-2-prop-2-enoxy-phenyl)methyl]-4-ethyl-5-(ethylamino)-1H-pyridazine-6-carboxylic acid Openeye Name: 2-[(2-allyloxy-5-bromo-phenyl)methyl]-4-ethyl-5-(ethylamino)-1H-pyridazine-6-carboxylic acid CAS Name: 2-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-4-ethyl-5-(ethylamino)-1H-pyridazine-6-carboxylic acid IUPAC Name: 2-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-4-ethyl-5-(ethylamino)-1H-pyridazine-6-carboxylic acid Traditional Name: 2-(2-allyloxy-5-bromo-benzyl)-4-ethyl-5-(ethylamino)-1H-pyridazine-6-carboxylic acid Formula: C19H24BrN3O3 MolecularWeight: 422.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(NC(=C1NCC)C(=O)O)CC2=C(C=CC(=C2)Br)OCC=C

Isomeric SMILES

CCC1=CN(NC(=C1NCC)C(=O)O)CC2=C(C=CC(=C2)Br)OCC=C

InChI

InChI=1S/C19H24BrN3O3/c1-4-9-26-16-8-7-15(20)10-14(16)12-23-11-13(5-2)17(21-6-3)18(22-23)19(24)25/h4,7-8,10-11,21-22H,1,5-6,9,12H2,2-3H3,(H,24,25)