[(1S,2S)-2-methylcyclopentyl] 3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: [(1S,2S)-2-methylcyclopentyl] 3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: [(1S,2S)-2-methylcyclopentyl] 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid [(1S,2S)-2-methylcyclopentyl] ester IUPAC Name: [(1S,2S)-2-methylcyclopentyl] 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid [(1S,2S)-2-methylcyclopentyl] ester Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC1OC(=O)C2=C(C3=C(N2)CCCC3=O)C

Isomeric SMILES

C[C@H]1CCC[C@@H]1OC(=O)C2=C(C3=C(N2)CCCC3=O)C

InChI

InChI=1S/C16H21NO3/c1-9-5-3-8-13(9)20-16(19)15-10(2)14-11(17-15)6-4-7-12(14)18/h9,13,17H,3-8H2,1-2H3/t9-,13-/m0/s1