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

Systemtic Name: pentyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C25H33NO3 MolecularWeight: 395.53442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3/c1-6-7-8-13-29-24(28)23-16(2)22-20(26-23)14-18(15-21(22)27)17-9-11-19(12-10-17)25(3,4)5/h9-12,18,26H,6-8,13-15H2,1-5H3/t18-/m1/s1