methyl 5-cyano-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-4-pyridin-3-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-4-pyridin-3-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 5-cyano-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-4-(3-pyridyl)pyrrolidine-3-carboxylate CAS Name: 5-cyano-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(3-pyridinyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[(1R)-2-hydroxy-1-phenylethyl]-4-pyridin-3-ylpyrrolidine-3-carboxylate Traditional Name: 5-cyano-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-4-(3-pyridyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(C1C2=CN=CC=C2)C#N)C(CO)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CN(C(C1C2=CN=CC=C2)C#N)[C@@H](CO)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-26-20(25)16-12-23(18(13-24)14-6-3-2-4-7-14)17(10-21)19(16)15-8-5-9-22-11-15/h2-9,11,16-19,24H,12-13H2,1H3/t16?,17?,18-,19?/m0/s1