[(3R,4S)-6-cyano-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl] 2-methylpropanoate

Systemtic Name: [(3R,4S)-6-cyano-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl] 2-methylpropanoate Openeye Name: [(3R,4S)-6-cyano-4-(2-oxopyrrolidin-1-yl)chroman-3-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(3R,4S)-6-cyano-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(3R,4S)-6-cyano-4-(2-oxopyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(3R,4S)-6-cyano-4-(2-ketopyrrolidino)chroman-3-yl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1COC2=C(C1N3CCCC3=O)C=C(C=C2)C#N

Isomeric SMILES

CC(C)C(=O)O[C@H]1COC2=C([C@@H]1N3CCCC3=O)C=C(C=C2)C#N

InChI

InChI=1S/C18H20N2O4/c1-11(2)18(22)24-15-10-23-14-6-5-12(9-19)8-13(14)17(15)20-7-3-4-16(20)21/h5-6,8,11,15,17H,3-4,7,10H2,1-2H3/t15-,17-/m0/s1