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

Systemtic Name: (3S)-1-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[6-(2,4-dimethylphenyl)-3-pyridazinyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[6-(2,4-dimethylphenyl)pyridazin-3-yl]nipecotic 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)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(C=C2)N3CCC[C@@H](C3)C(=O)O)C

InChI

InChI=1S/C18H21N3O2/c1-12-5-6-15(13(2)10-12)16-7-8-17(20-19-16)21-9-3-4-14(11-21)18(22)23/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,22,23)/t14-/m0/s1