[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-phenoxypyridine-3-carboxylate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-phenoxypyridine-3-carboxylate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-phenoxypyridine-3-carboxylate CAS Name: 2-phenoxy-3-pyridinecarboxylic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate Traditional Name: 2-phenoxynicotinic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C25H24FN3O4 MolecularWeight: 449.474163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H24FN3O4/c26-22-11-5-4-7-19(22)17-28-13-15-29(16-14-28)23(30)18-32-25(31)21-10-6-12-27-24(21)33-20-8-2-1-3-9-20/h1-12H,13-18H2