2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazino]nicotinic acid Formula: C26H27F2N3O2 MolecularWeight: 451.508286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C26H27F2N3O2/c27-21-9-5-19(6-10-21)23(20-7-11-22(28)12-8-20)4-2-14-30-15-17-31(18-16-30)25-24(26(32)33)3-1-13-29-25/h1,3,5-13,23H,2,4,14-18H2,(H,32,33)