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

Systemtic Name: cyclooctyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: cyclooctyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazino]nicotinic acid cyclooctyl ester Formula: C34H41F2N3O2 MolecularWeight: 561.705046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)OC(=O)C2=C(N=CC=C2)N3CCN(CC3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCCC(CCC1)OC(=O)C2=C(N=CC=C2)N3CCN(CC3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C34H41F2N3O2/c35-28-16-12-26(13-17-28)31(27-14-18-29(36)19-15-27)11-7-21-38-22-24-39(25-23-38)33-32(10-6-20-37-33)34(40)41-30-8-4-2-1-3-5-9-30/h6,10,12-20,30-31H,1-5,7-9,11,21-25H2