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

Systemtic Name: methyl (2S,3S)-2-(2-cyanoethyl)-3-oxidanyl-3-(phenylmethyl)-1H-indene-2-carboxylate Openeye Name: methyl (1S,2S)-1-benzyl-2-(2-cyanoethyl)-1-hydroxy-indane-2-carboxylate CAS Name: (2S,3S)-2-(2-cyanoethyl)-3-hydroxy-3-(phenylmethyl)-1H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-3-benzyl-2-(2-cyanoethyl)-3-hydroxy-1H-indene-2-carboxylate Traditional Name: (1S,2S)-1-benzyl-2-(2-cyanoethyl)-1-hydroxy-indane-2-carboxylic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=CC=CC=C2C1(CC3=CC=CC=C3)O)CCC#N

Isomeric SMILES

COC(=O)[C@]1(CC2=CC=CC=C2[C@]1(CC3=CC=CC=C3)O)CCC#N

InChI

InChI=1S/C21H21NO3/c1-25-19(23)20(12-7-13-22)15-17-10-5-6-11-18(17)21(20,24)14-16-8-3-2-4-9-16/h2-6,8-11,24H,7,12,14-15H2,1H3/t20-,21+/m1/s1