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

Systemtic Name: hexyl (6R)-6-(2-chlorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: hexyl (6R)-6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester IUPAC Name: hexyl (6R)-6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(2-chlorophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(C2=C(N1)C[C@H](CC2=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C22H26ClNO3/c1-3-4-5-8-11-27-22(26)21-14(2)20-18(24-21)12-15(13-19(20)25)16-9-6-7-10-17(16)23/h6-7,9-10,15,24H,3-5,8,11-13H2,1-2H3/t15-/m1/s1