ethyl 1-[4-(trifluoromethyloxy)cyclohex-2-en-1-yl]-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 1-[4-(trifluoromethyloxy)cyclohex-2-en-1-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 1-[4-(trifluoromethoxy)cyclohex-2-en-1-yl]-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-[4-(trifluoromethoxy)-1-cyclohex-2-enyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(trifluoromethoxy)cyclohex-2-en-1-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-[4-(trifluoromethoxy)cyclohex-2-en-1-yl]-9H-$b-carboline-3-carboxylic acid ethyl ester Formula: C21H19F3N2O3 MolecularWeight: 404.38237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4CCC(C=C4)OC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4CCC(C=C4)OC(F)(F)F

InChI

InChI=1S/C21H19F3N2O3/c1-2-28-20(27)17-11-15-14-5-3-4-6-16(14)25-19(15)18(26-17)12-7-9-13(10-8-12)29-21(22,23)24/h3-7,9,11-13,25H,2,8,10H2,1H3