[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl] ester Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN2O3/c1-16-4-2-5-17(12-16)14-23-8-10-24(11-9-23)20(25)15-27-21(26)18-6-3-7-19(22)13-18/h2-7,12-13H,8-11,14-15H2,1H3