8-(2-cyanophenoxy)-5-methyl-6-(trifluoromethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2-carboxylic acid

Systemtic Name: 8-(2-cyanophenoxy)-5-methyl-6-(trifluoromethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2-carboxylic acid Openeye Name: 8-(2-cyanophenoxy)-5-methyl-6-(trifluoromethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2-carboxylic acid CAS Name: 8-(2-cyanophenoxy)-5-methyl-6-(trifluoromethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2-carboxylic acid IUPAC Name: 8-(2-cyanophenoxy)-5-methyl-6-(trifluoromethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2-carboxylic acid Traditional Name: 8-(2-cyanophenoxy)-5-methyl-6-(trifluoromethyl)-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indole-2-carboxylic acid Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCN(CC2C3=CC(=CC(=C31)C(F)(F)F)OC4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CN1C2CCN(CC2C3=CC(=CC(=C31)C(F)(F)F)OC4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C21H18F3N3O3/c1-26-17-6-7-27(20(28)29)11-15(17)14-8-13(9-16(19(14)26)21(22,23)24)30-18-5-3-2-4-12(18)10-25/h2-5,8-9,15,17H,6-7,11H2,1H3,(H,28,29)