[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl] ester Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)F

InChI

InChI=1S/C21H23FN2O5/c1-27-18-8-7-15(13-16(18)22)21(26)29-14-20(25)24-11-9-23(10-12-24)17-5-3-4-6-19(17)28-2/h3-8,13H,9-12,14H2,1-2H3