[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperidin-4-yl] 4-azidobenzoate

Systemtic Name: [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperidin-4-yl] 4-azidobenzoate Openeye Name: [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl] 4-azidobenzoate CAS Name: 4-azidobenzoic acid [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl] ester IUPAC Name: [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 4-azidobenzoate Traditional Name: 4-azidobenzoic acid [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-keto-butyl]-4-piperidyl] ester Formula: C28H26ClFN4O3 MolecularWeight: 520.982443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)N=[N+]=[N-])CCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)N=[N+]=[N-])CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H26ClFN4O3/c29-23-9-7-22(8-10-23)28(37-27(36)21-5-13-25(14-6-21)32-33-31)15-18-34(19-16-28)17-1-2-26(35)20-3-11-24(30)12-4-20/h3-14H,1-2,15-19H2