1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-pyrazol-1-ylbenzyl)nipecotic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)O

InChI

InChI=1S/C16H19N3O2/c20-16(21)14-3-1-9-18(12-14)11-13-4-6-15(7-5-13)19-10-2-8-17-19/h2,4-8,10,14H,1,3,9,11-12H2,(H,20,21)