(2S)-1-[(2S)-2-ethylhexanoyl]-2,3-dihydroindole-2-carboxylate

Systemtic Name: (2S)-1-[(2S)-2-ethylhexanoyl]-2,3-dihydroindole-2-carboxylate Openeye Name: (2S)-1-[(2S)-2-ethylhexanoyl]indoline-2-carboxylate CAS Name: (2S)-1-[(2S)-2-ethyl-1-oxohexyl]-2,3-dihydroindole-2-carboxylate IUPAC Name: (2S)-1-[(2S)-2-ethylhexanoyl]-2,3-dihydroindole-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-ethylhexanoyl]indoline-2-carboxylate Formula: C17H22NO3- MolecularWeight: 288.36148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(CC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C17H23NO3/c1-3-5-8-12(4-2)16(19)18-14-10-7-6-9-13(14)11-15(18)17(20)21/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3,(H,20,21)/p-1/t12-,15-/m0/s1