(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]nipecotic acid Formula: C14H23N3O2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CCCC(C2)C(=O)O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2CCC[C@@H](C2)C(=O)O)C

InChI

InChI=1S/C14H23N3O2/c1-4-17-11(3)13(10(2)15-17)9-16-7-5-6-12(8-16)14(18)19/h12H,4-9H2,1-3H3,(H,18,19)/t12-/m0/s1