(2S)-2-(2,3-dihydroindol-1-yl)-3-methyl-butanoate

Systemtic Name: (2S)-2-(2,3-dihydroindol-1-yl)-3-methyl-butanoate Openeye Name: (2S)-2-indolin-1-yl-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydroindol-1-yl)-3-methylbutanoate IUPAC Name: (2S)-2-(2,3-dihydroindol-1-yl)-3-methylbutanoate Traditional Name: (2S)-2-indolin-1-yl-3-methyl-butyrate Formula: C13H16NO2- MolecularWeight: 218.27164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1CCC2=CC=CC=C21

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])N1CCC2=CC=CC=C21

InChI

InChI=1S/C13H17NO2/c1-9(2)12(13(15)16)14-8-7-10-5-3-4-6-11(10)14/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)/p-1/t12-/m0/s1