(phenylmethyl) 6-fluoranyl-9-(4-fluorophenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 6-fluoranyl-9-(4-fluorophenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 6-fluoro-9-(4-fluorobenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 6-fluoro-9-[(4-fluorophenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-fluoro-9-(4-fluorobenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 6-fluoro-9-(4-fluorobenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C27H21F2NO3 MolecularWeight: 445.457346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)OCC3=CC=CC=C3)C4=C(N2C(=O)C5=CC=C(C=C5)F)C=CC(=C4)F

Isomeric SMILES

C1CC2=C(CC1C(=O)OCC3=CC=CC=C3)C4=C(N2C(=O)C5=CC=C(C=C5)F)C=CC(=C4)F

InChI

InChI=1S/C27H21F2NO3/c28-20-9-6-18(7-10-20)26(31)30-24-12-8-19(27(32)33-16-17-4-2-1-3-5-17)14-22(24)23-15-21(29)11-13-25(23)30/h1-7,9-11,13,15,19H,8,12,14,16H2