ethyl 4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazino]benzoic acid ethyl ester Formula: C29H32F2N2O2 MolecularWeight: 478.573386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H32F2N2O2/c1-2-35-29(34)24-9-15-27(16-10-24)33-20-18-32(19-21-33)17-3-4-28(22-5-11-25(30)12-6-22)23-7-13-26(31)14-8-23/h5-16,28H,2-4,17-21H2,1H3