4-methyl-2-[3-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid

Systemtic Name: 4-methyl-2-[3-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-(1-piperazinyl)-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-piperazino-5-[4-(trifluoromethyl)phenyl]phenyl]valeric acid Formula: C23H27F3N2O2 MolecularWeight: 420.46789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27F3N2O2/c1-15(2)11-21(22(29)30)18-12-17(13-20(14-18)28-9-7-27-8-10-28)16-3-5-19(6-4-16)23(24,25)26/h3-6,12-15,21,27H,7-11H2,1-2H3,(H,29,30)