[(3S)-6-cyano-2,2-dimethyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-3-yl] methanoate

Systemtic Name: [(3S)-6-cyano-2,2-dimethyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-3-yl] methanoate Openeye Name: [(3S)-6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chroman-3-yl] formate CAS Name: formic acid [(3S)-6-cyano-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(3S)-6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl] formate Traditional Name: formic acid [(3S)-6-cyano-4-(2-ketopyrrolidino)-2,2-dimethyl-chroman-3-yl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)OC=O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)OC=O)C

InChI

InChI=1S/C17H18N2O4/c1-17(2)16(22-10-20)15(19-7-3-4-14(19)21)12-8-11(9-18)5-6-13(12)23-17/h5-6,8,10,15-16H,3-4,7H2,1-2H3/t15?,16-/m0/s1