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

Systemtic Name: 2-[2-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[2-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[2-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[2-[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(C(CN1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1CN(C(CN1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C26H27F2N3O2/c27-20-10-6-18(7-11-20)23(19-8-12-21(28)13-9-19)4-1-3-22-17-29-15-16-31(22)25-24(26(32)33)5-2-14-30-25/h2,5-14,22-23,29H,1,3-4,15-17H2,(H,32,33)