(3S)-4-[(2S)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S)-4-[(2S)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-3-hydroxy-4-[(2S)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-4-[(2S)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-3-hydroxy-4-[(2S)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-3-hydroxy-4-[(5S)-2-keto-5-methylol-pyrrolidino]-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C(CCC3=O)CO)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3[C@@H](CCC3=O)CO)O)C

InChI

InChI=1S/C17H20N2O4/c1-17(2)16(22)15(19-11(9-20)4-6-14(19)21)12-7-10(8-18)3-5-13(12)23-17/h3,5,7,11,15-16,20,22H,4,6,9H2,1-2H3/t11-,15?,16-/m0/s1