hexyl (6R)-6-(4-fluorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: hexyl (6R)-6-(4-fluorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: hexyl (6R)-6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester IUPAC Name: hexyl (6R)-6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(4-fluorophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester Formula: C22H26FNO3 MolecularWeight: 371.445143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(C2=C(N1)C[C@H](CC2=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FNO3/c1-3-4-5-6-11-27-22(26)21-14(2)20-18(24-21)12-16(13-19(20)25)15-7-9-17(23)10-8-15/h7-10,16,24H,3-6,11-13H2,1-2H3/t16-/m1/s1