4-methyl-2-[5-(4-piperazin-1-ylphenyl)pyridin-3-yl]pentanoic acid

Systemtic Name: 4-methyl-2-[5-(4-piperazin-1-ylphenyl)pyridin-3-yl]pentanoic acid Openeye Name: 4-methyl-2-[5-(4-piperazin-1-ylphenyl)-3-pyridyl]pentanoic acid CAS Name: 4-methyl-2-[5-[4-(1-piperazinyl)phenyl]-3-pyridinyl]pentanoic acid IUPAC Name: 4-methyl-2-[5-(4-piperazin-1-ylphenyl)pyridin-3-yl]pentanoic acid Traditional Name: 4-methyl-2-[5-(4-piperazinophenyl)-3-pyridyl]valeric acid Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CN=CC(=C1)C2=CC=C(C=C2)N3CCNCC3)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CN=CC(=C1)C2=CC=C(C=C2)N3CCNCC3)C(=O)O

InChI

InChI=1S/C21H27N3O2/c1-15(2)11-20(21(25)26)18-12-17(13-23-14-18)16-3-5-19(6-4-16)24-9-7-22-8-10-24/h3-6,12-15,20,22H,7-11H2,1-2H3,(H,25,26)