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

Systemtic Name: 6-[[5-chloranyl-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 6-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 6-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 6-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 6-[[5-chloro-2-(cyclopropylmethoxy)benzyl]-ethyl-amino]pyridazine-3-carboxylic acid Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Cl)OCC2CC2)C3=NN=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Cl)OCC2CC2)C3=NN=C(C=C3)C(=O)O

InChI

InChI=1S/C18H20ClN3O3/c1-2-22(17-8-6-15(18(23)24)20-21-17)10-13-9-14(19)5-7-16(13)25-11-12-3-4-12/h5-9,12H,2-4,10-11H2,1H3,(H,23,24)