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

Systemtic Name: 6-[[5-bromanyl-2-(cyclopropylmethoxy)phenyl]methyl-methyl-amino]pyridazine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-methyl-amino]pyridazine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-3-pyridazinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]pyridazine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(cyclopropylmethoxy)benzyl]-methyl-amino]pyridazine-3-carboxylic acid Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OCC2CC2)C3=NN=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OCC2CC2)C3=NN=C(C=C3)C(=O)O

InChI

InChI=1S/C17H18BrN3O3/c1-21(16-7-5-14(17(22)23)19-20-16)9-12-8-13(18)4-6-15(12)24-10-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,22,23)