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

Systemtic Name: 6-[[5-chloranyl-2-(cyclobutylmethoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 6-[[5-chloro-2-(cyclobutylmethoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 6-[[5-chloro-2-(cyclobutylmethoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 6-[[5-chloro-2-(cyclobutylmethoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 6-[[5-chloro-2-(cyclobutylmethoxy)benzyl]-ethyl-amino]pyridazine-3-carboxylic acid Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Cl)OCC2CCC2)C3=NN=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Cl)OCC2CCC2)C3=NN=C(C=C3)C(=O)O

InChI

InChI=1S/C19H22ClN3O3/c1-2-23(18-9-7-16(19(24)25)21-22-18)11-14-10-15(20)6-8-17(14)26-12-13-4-3-5-13/h6-10,13H,2-5,11-12H2,1H3,(H,24,25)