cyanomethyl (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: cyanomethyl (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: cyanomethyl (3S)-1-[2-[(1S)-1-methylpropyl]phenyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-3-pyrrolidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[2-[(1S)-1-methylpropyl]phenyl]pyrrolidine-3-carboxylic acid cyanomethyl ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)OCC#N

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC#N

InChI

InChI=1S/C17H20N2O3/c1-3-12(2)14-6-4-5-7-15(14)19-11-13(10-16(19)20)17(21)22-9-8-18/h4-7,12-13H,3,9-11H2,1-2H3/t12-,13-/m0/s1