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

Systemtic Name: butyl (6R)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: butyl (6R)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid butyl ester IUPAC Name: butyl (6R)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-4-keto-3-methyl-6-p-phenetyl-1,5,6,7-tetrahydroindole-2-carboxylic acid butyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-4-6-11-27-22(25)21-14(3)20-18(23-21)12-16(13-19(20)24)15-7-9-17(10-8-15)26-5-2/h7-10,16,23H,4-6,11-13H2,1-3H3/t16-/m1/s1