[1,1,1-tris(fluoranyl)-4-piperidin-1-yl-butan-2-yl] 4-azanylbenzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-4-piperidin-1-yl-butan-2-yl] 4-azanylbenzoate Openeye Name: [3-(1-piperidyl)-1-(trifluoromethyl)propyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [1,1,1-trifluoro-4-(1-piperidinyl)butan-2-yl] ester IUPAC Name: (1,1,1-trifluoro-4-piperidin-1-ylbutan-2-yl) 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [3-piperidino-1-(trifluoromethyl)propyl] ester Formula: C16H21F3N2O2 MolecularWeight: 330.34535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(C(F)(F)F)OC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C1CCN(CC1)CCC(C(F)(F)F)OC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C16H21F3N2O2/c17-16(18,19)14(8-11-21-9-2-1-3-10-21)23-15(22)12-4-6-13(20)7-5-12/h4-7,14H,1-3,8-11,20H2