ethyl (2S)-1-(4-cyanobutanoyl)-2,3-dihydroindole-2-carboxylate

Systemtic Name: ethyl (2S)-1-(4-cyanobutanoyl)-2,3-dihydroindole-2-carboxylate Openeye Name: ethyl (2S)-1-(4-cyanobutanoyl)indoline-2-carboxylate CAS Name: (2S)-1-(4-cyano-1-oxobutyl)-2,3-dihydroindole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(4-cyanobutanoyl)-2,3-dihydroindole-2-carboxylate Traditional Name: (2S)-1-(4-cyanobutanoyl)indoline-2-carboxylic acid ethyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2N1C(=O)CCCC#N

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=CC=CC=C2N1C(=O)CCCC#N

InChI

InChI=1S/C16H18N2O3/c1-2-21-16(20)14-11-12-7-3-4-8-13(12)18(14)15(19)9-5-6-10-17/h3-4,7-8,14H,2,5-6,9,11H2,1H3/t14-/m0/s1