1-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(2,4-dimethylphenyl)-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(2,4-dimethylphenyl)pyridazin-3-yl]isonipecotic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C18H21N3O2/c1-12-3-4-15(13(2)11-12)16-5-6-17(20-19-16)21-9-7-14(8-10-21)18(22)23/h3-6,11,14H,7-10H2,1-2H3,(H,22,23)