[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C21H22F2N2O4 MolecularWeight: 404.407186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3F)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3F)F

InChI

InChI=1S/C21H22F2N2O4/c1-28-16-6-7-17(19(23)12-16)21(27)29-14-20(26)25-10-8-24(9-11-25)13-15-4-2-3-5-18(15)22/h2-7,12H,8-11,13-14H2,1H3