(3S,4R)-2,2-bis(methoxymethyl)-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-bis(methoxymethyl)-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-bis(methoxymethyl)-4-(2-oxopyrrolidin-1-yl)chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-bis(methoxymethyl)-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-bis(methoxymethyl)-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-(2-ketopyrrolidino)-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)COC

InChI

InChI=1S/C18H22N2O5/c1-23-10-18(11-24-2)17(22)16(20-7-3-4-15(20)21)13-8-12(9-19)5-6-14(13)25-18/h5-6,8,16-17,22H,3-4,7,10-11H2,1-2H3/t16-,17+/m1/s1