1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidine-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)O

InChI

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