1-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[4-[2-(4-pyridyl)piperazin-1-yl]benzoyl]piperidine-3-carboxylic acid CAS Name: 1-[oxo-[4-(2-pyridin-4-yl-1-piperazinyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-[2-(4-pyridyl)piperazino]benzoyl]nipecotic acid Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCNCC3C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCNCC3C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C22H26N4O3/c27-21(25-12-1-2-18(15-25)22(28)29)17-3-5-19(6-4-17)26-13-11-24-14-20(26)16-7-9-23-10-8-16/h3-10,18,20,24H,1-2,11-15H2,(H,28,29)