[1,1,1-tris(fluoranyl)-3-(piperidin-1-ylmethyl)hexan-2-yl] 4-azanylbenzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-(piperidin-1-ylmethyl)hexan-2-yl] 4-azanylbenzoate Openeye Name: [2-(1-piperidylmethyl)-1-(trifluoromethyl)pentyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [1,1,1-trifluoro-3-(1-piperidinylmethyl)hexan-2-yl] ester IUPAC Name: [1,1,1-trifluoro-3-(piperidin-1-ylmethyl)hexan-2-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-(piperidinomethyl)-1-(trifluoromethyl)pentyl] ester Formula: C19H27F3N2O2 MolecularWeight: 372.42509

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1CCCCC1)C(C(F)(F)F)OC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCCC(CN1CCCCC1)C(C(F)(F)F)OC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C19H27F3N2O2/c1-2-6-15(13-24-11-4-3-5-12-24)17(19(20,21)22)26-18(25)14-7-9-16(23)10-8-14/h7-10,15,17H,2-6,11-13,23H2,1H3