methyl 3-[[4-(4-fluorophenyl)carbonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(4-fluorophenyl)carbonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]benzoate Traditional Name: 3-[[4-(4-fluorobenzoyl)piperazino]methyl]benzoic acid methyl ester Formula: C20H21FN2O3 MolecularWeight: 356.390743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O3/c1-26-20(25)17-4-2-3-15(13-17)14-22-9-11-23(12-10-22)19(24)16-5-7-18(21)8-6-16/h2-8,13H,9-12,14H2,1H3