5-[(2S)-butan-2-yl]-1H-indole-2-carboxylate

Systemtic Name: 5-[(2S)-butan-2-yl]-1H-indole-2-carboxylate Openeye Name: 5-[(1S)-1-methylpropyl]-1H-indole-2-carboxylate CAS Name: 5-[(2S)-butan-2-yl]-1H-indole-2-carboxylate IUPAC Name: 5-[(2S)-butan-2-yl]-1H-indole-2-carboxylate Traditional Name: 5-[(1S)-1-methylpropyl]-1H-indole-2-carboxylate Formula: C13H14NO2- MolecularWeight: 216.25576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)NC(=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC2=C(C=C1)NC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H15NO2/c1-3-8(2)9-4-5-11-10(6-9)7-12(14-11)13(15)16/h4-8,14H,3H2,1-2H3,(H,15,16)/p-1/t8-/m0/s1