[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2,5-dimethoxybenzoate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2,5-dimethoxybenzoate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2,5-dimethoxybenzoate CAS Name: 2,5-dimethoxybenzoic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate Traditional Name: 2,5-dimethoxybenzoic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O5/c1-28-17-7-8-20(29-2)18(13-17)22(27)30-15-21(26)25-11-9-24(10-12-25)14-16-5-3-4-6-19(16)23/h3-8,13H,9-12,14-15H2,1-2H3