methyl 2,5-bis(fluoranyl)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 2,5-bis(fluoranyl)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-2,5-difluoro-benzoate CAS Name: 2,5-difluoro-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-2,5-difluorobenzoate Traditional Name: 4-(4-benzylpiperazino)-2,5-difluoro-benzoic acid methyl ester Formula: C19H20F2N2O2 MolecularWeight: 346.371106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)N2CCN(CC2)CC3=CC=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)N2CCN(CC2)CC3=CC=CC=C3)F

InChI

InChI=1S/C19H20F2N2O2/c1-25-19(24)15-11-17(21)18(12-16(15)20)23-9-7-22(8-10-23)13-14-5-3-2-4-6-14/h2-6,11-12H,7-10,13H2,1H3