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

Systemtic Name: (3S)-1-[6-(4-propan-2-ylphenyl)pyridazin-3-yl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[6-(4-isopropylphenyl)pyridazin-3-yl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[6-(4-propan-2-ylphenyl)-3-pyridazinyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[6-(4-propan-2-ylphenyl)pyridazin-3-yl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-(6-p-cumenylpyridazin-3-yl)nipecotic acid Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(C=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-13(2)14-5-7-15(8-6-14)17-9-10-18(21-20-17)22-11-3-4-16(12-22)19(23)24/h5-10,13,16H,3-4,11-12H2,1-2H3,(H,23,24)/t16-/m0/s1