ethyl (1S,2R)-2-(3-cyanopropyl)-1-oxidanyl-1,3-dihydroindene-2-carboxylate

Systemtic Name: ethyl (1S,2R)-2-(3-cyanopropyl)-1-oxidanyl-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl (1S,2R)-2-(3-cyanopropyl)-1-hydroxy-indane-2-carboxylate CAS Name: (1S,2R)-2-(3-cyanopropyl)-1-hydroxy-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R)-2-(3-cyanopropyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate Traditional Name: (1S,2R)-2-(3-cyanopropyl)-1-hydroxy-indane-2-carboxylic acid ethyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=CC=CC=C2C1O)CCCC#N

Isomeric SMILES

CCOC(=O)[C@@]1(CC2=CC=CC=C2[C@@H]1O)CCCC#N

InChI

InChI=1S/C16H19NO3/c1-2-20-15(19)16(9-5-6-10-17)11-12-7-3-4-8-13(12)14(16)18/h3-4,7-8,14,18H,2,5-6,9,11H2,1H3/t14-,16+/m0/s1