2-(1-phenylpyrazol-4-yl)-2-piperidin-1-yl-ethanoic acid

Systemtic Name: 2-(1-phenylpyrazol-4-yl)-2-piperidin-1-yl-ethanoic acid Openeye Name: 2-(1-phenylpyrazol-4-yl)-2-(1-piperidyl)acetic acid CAS Name: 2-(1-phenyl-4-pyrazolyl)-2-(1-piperidinyl)acetic acid IUPAC Name: 2-(1-phenylpyrazol-4-yl)-2-piperidin-1-ylacetic acid Traditional Name: 2-(1-phenylpyrazol-4-yl)-2-piperidino-acetic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C2=CN(N=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(C2=CN(N=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H19N3O2/c20-16(21)15(18-9-5-2-6-10-18)13-11-17-19(12-13)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10H2,(H,20,21)