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

Systemtic Name: [(2S)-butan-2-yl] 3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: [(1S)-1-methylpropyl] 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 [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] 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)-1-methylpropyl] ester Formula: C14H19NO3 MolecularWeight: 249.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(C2=C(N1)CCCC2=O)C

Isomeric SMILES

CC[C@H](C)OC(=O)C1=C(C2=C(N1)CCCC2=O)C

InChI

InChI=1S/C14H19NO3/c1-4-8(2)18-14(17)13-9(3)12-10(15-13)6-5-7-11(12)16/h8,15H,4-7H2,1-3H3/t8-/m0/s1