3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate

Systemtic Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Openeye Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl ester IUPAC Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-[3-(trifluoromethyl)phenyl]piperazino]propyl ester Formula: C28H27F3N2O3 MolecularWeight: 496.52079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C28H27F3N2O3/c29-28(30,31)20-7-5-8-21(19-20)33-16-14-32(15-17-33)13-6-18-35-27(34)26-22-9-1-3-11-24(22)36-25-12-4-2-10-23(25)26/h1-5,7-12,19,26H,6,13-18H2