2-methyl-5-[4-[3-[9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]fluoren-9-yl]propyl]piperazin-1-yl]benzoic acid

Systemtic Name: 2-methyl-5-[4-[3-[9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]fluoren-9-yl]propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-methyl-5-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]propyl]piperazin-1-yl]benzoic acid CAS Name: 2-methyl-5-[4-[3-[9-[oxo-(2,2,2-trifluoroethylamino)methyl]-9-fluorenyl]propyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-methyl-5-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]propyl]piperazin-1-yl]benzoic acid Traditional Name: 2-methyl-5-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]propyl]piperazino]benzoic acid Formula: C31H32F3N3O3 MolecularWeight: 551.59929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CCCC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)NCC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CCCC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)NCC(F)(F)F)C(=O)O

InChI

InChI=1S/C31H32F3N3O3/c1-21-11-12-22(19-25(21)28(38)39)37-17-15-36(16-18-37)14-6-13-30(29(40)35-20-31(32,33)34)26-9-4-2-7-23(26)24-8-3-5-10-27(24)30/h2-5,7-12,19H,6,13-18,20H2,1H3,(H,35,40)(H,38,39)