(phenylmethyl) 6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate

Systemtic Name: (phenylmethyl) 6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate Openeye Name: benzyl 6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate CAS Name: 6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate Traditional Name: 6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid benzyl ester Formula: C21H18F3NO2 MolecularWeight: 373.36833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)NC3=C2C=C(C=C3)C(F)(F)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(C2=C(C1)NC3=C2C=C(C=C3)C(F)(F)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18F3NO2/c22-21(23,24)14-9-10-17-16(11-14)19-15(7-4-8-18(19)25-17)20(26)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15,25H,4,7-8,12H2