(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperidin-1-yl)-3,4-dihydrobenzo[h]chromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperidin-1-yl)-3,4-dihydrobenzo[h]chromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-piperidyl)-3,4-dihydrobenzo[h]chromene-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-piperidinyl)-3,4-dihydrobenzo[h][1]benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopiperidin-1-yl)-3,4-dihydrobenzo[h]chromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-(2-ketopiperidino)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-6-carbonitrile Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2)C#N)N4CCCCC4=O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C3=CC=CC=C3C(=C2)C#N)N4CCCCC4=O)O)C

InChI

InChI=1S/C21H22N2O3/c1-21(2)20(25)18(23-10-6-5-9-17(23)24)16-11-13(12-22)14-7-3-4-8-15(14)19(16)26-21/h3-4,7-8,11,18,20,25H,5-6,9-10H2,1-2H3/t18-,20+/m1/s1