[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-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=C(C(=CC=C1)OC)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

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

InChI

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