methyl (2S,3S)-2-(2-cyanoethyl)-3-ethyl-3-oxidanyl-1H-indene-2-carboxylate

Systemtic Name: methyl (2S,3S)-2-(2-cyanoethyl)-3-ethyl-3-oxidanyl-1H-indene-2-carboxylate Openeye Name: methyl (1S,2S)-2-(2-cyanoethyl)-1-ethyl-1-hydroxy-indane-2-carboxylate CAS Name: (2S,3S)-2-(2-cyanoethyl)-3-ethyl-3-hydroxy-1H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-2-(2-cyanoethyl)-3-ethyl-3-hydroxy-1H-indene-2-carboxylate Traditional Name: (1S,2S)-2-(2-cyanoethyl)-1-ethyl-1-hydroxy-indane-2-carboxylic acid methyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2CC1(CCC#N)C(=O)OC)O

Isomeric SMILES

CC[C@@]1(C2=CC=CC=C2C[C@]1(CCC#N)C(=O)OC)O

InChI

InChI=1S/C16H19NO3/c1-3-16(19)13-8-5-4-7-12(13)11-15(16,9-6-10-17)14(18)20-2/h4-5,7-8,19H,3,6,9,11H2,1-2H3/t15-,16+/m1/s1