(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperidin-1-yl)-3,4-dihydrochromene-7-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperidin-1-yl)-3,4-dihydrochromene-7-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-piperidyl)chromane-7-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-7-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopiperidin-1-yl)-3,4-dihydrochromene-7-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-(2-ketopiperidino)-2,2-dimethyl-chroman-7-carbonitrile Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C=C2)C#N)N3CCCCC3=O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=C(C=C2)C#N)N3CCCCC3=O)O)C

InChI

InChI=1S/C17H20N2O3/c1-17(2)16(21)15(19-8-4-3-5-14(19)20)12-7-6-11(10-18)9-13(12)22-17/h6-7,9,15-16,21H,3-5,8H2,1-2H3/t15-,16+/m1/s1