9-(phenylmethyl)-8-[2,2,2-tris(fluoranyl)ethanoyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid

Systemtic Name: 9-(phenylmethyl)-8-[2,2,2-tris(fluoranyl)ethanoyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid Openeye Name: 9-benzyl-8-(2,2,2-trifluoroacetyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid CAS Name: 9-(phenylmethyl)-8-(2,2,2-trifluoro-1-oxoethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid IUPAC Name: 9-benzyl-8-(2,2,2-trifluoroacetyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid Traditional Name: 9-benzyl-8-(2,2,2-trifluoroacetyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid Formula: C22H18F3NO3 MolecularWeight: 401.37843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C3=C(N2CC4=CC=CC=C4)C(=CC=C3)C(=O)O)C(=O)C(F)(F)F

Isomeric SMILES

C1CC(C2=C(C1)C3=C(N2CC4=CC=CC=C4)C(=CC=C3)C(=O)O)C(=O)C(F)(F)F

InChI

InChI=1S/C22H18F3NO3/c23-22(24,25)20(27)16-10-4-8-14-15-9-5-11-17(21(28)29)19(15)26(18(14)16)12-13-6-2-1-3-7-13/h1-3,5-7,9,11,16H,4,8,10,12H2,(H,28,29)