(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-oxoisoindolin-2-yl)chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CC4=CC=CC=C4C3=O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CC4=CC=CC=C4C3=O)O)C

InChI

InChI=1S/C20H18N2O3/c1-20(2)18(23)17(15-9-12(10-21)7-8-16(15)25-20)22-11-13-5-3-4-6-14(13)19(22)24/h3-9,17-18,23H,11H2,1-2H3/t17-,18+/m1/s1