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

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

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC[C@@H](C3)C(=O)O

InChI

InChI=1S/C18H21N3O2/c1-2-13-5-7-14(8-6-13)16-9-10-17(20-19-16)21-11-3-4-15(12-21)18(22)23/h5-10,15H,2-4,11-12H2,1H3,(H,22,23)/t15-/m0/s1