1-[4-(4-pyridin-4-ylpiperazin-1-yl)carbonylphenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(4-pyridin-4-ylpiperazin-1-yl)carbonylphenyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[4-(4-pyridyl)piperazine-1-carbonyl]phenyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[4-(4-pyridyl)piperazine-1-carbonyl]phenyl]isonipecotic acid Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C22H26N4O3/c27-21(26-15-13-25(14-16-26)20-5-9-23-10-6-20)17-1-3-19(4-2-17)24-11-7-18(8-12-24)22(28)29/h1-6,9-10,18H,7-8,11-16H2,(H,28,29)