5-[2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]pentanoic acid

Systemtic Name: 5-[2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]pentanoic acid Openeye Name: 5-[2-[[4-(4-pyridyl)piperazin-1-yl]methyl]phenyl]pentanoic acid CAS Name: 5-[2-[(4-pyridin-4-yl-1-piperazinyl)methyl]phenyl]pentanoic acid IUPAC Name: 5-[2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]pentanoic acid Traditional Name: 5-[2-[[4-(4-pyridyl)piperazino]methyl]phenyl]valeric acid Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2CCCCC(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2CCCCC(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C21H27N3O2/c25-21(26)8-4-3-6-18-5-1-2-7-19(18)17-23-13-15-24(16-14-23)20-9-11-22-12-10-20/h1-2,5,7,9-12H,3-4,6,8,13-17H2,(H,25,26)