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

Systemtic Name: hexyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: hexyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester IUPAC Name: hexyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(4-tert-butylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester Formula: C26H35NO3 MolecularWeight: 409.561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO3/c1-6-7-8-9-14-30-25(29)24-17(2)23-21(27-24)15-19(16-22(23)28)18-10-12-20(13-11-18)26(3,4)5/h10-13,19,27H,6-9,14-16H2,1-5H3/t19-/m1/s1