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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=NC=C3)CCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=NC=C3)CCCCC(=O)O

InChI

InChI=1S/C21H27N3O2/c1-17-16-20(7-6-18(17)4-2-3-5-21(25)26)24-14-12-23(13-15-24)19-8-10-22-11-9-19/h6-11,16H,2-5,12-15H2,1H3,(H,25,26)