3-[bis(fluoranyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[bis(fluoranyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 3-(difluoromethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid CAS Name: 3-(difluoromethyl)-4-[(4-methyl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 3-(difluoromethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 3-(difluoromethyl)-4-[(4-methylpiperazino)methyl]benzoic acid Formula: C14H18F2N2O2 MolecularWeight: 284.301726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)C(F)F

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)C(F)F

InChI

InChI=1S/C14H18F2N2O2/c1-17-4-6-18(7-5-17)9-11-3-2-10(14(19)20)8-12(11)13(15)16/h2-3,8,13H,4-7,9H2,1H3,(H,19,20)