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

Systemtic Name: (3R,4S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylpyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-3-hydroxy-4-(2-hydroxypyrrolidin-1-yl)-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3R,4S)-3-hydroxy-4-(2-hydroxy-1-pyrrolidinyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-3-hydroxy-4-(2-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-3-hydroxy-4-(2-hydroxypyrrolidino)-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3O)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3O)O)C

InChI

InChI=1S/C16H20N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,13-15,19-20H,3-4,7H2,1-2H3/t13?,14-,15+/m0/s1