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

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-3-hydroxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carbonitrile Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3)O)C

InChI

InChI=1S/C16H20N2O2/c1-16(2)15(19)14(18-7-3-4-8-18)12-9-11(10-17)5-6-13(12)20-16/h5-6,9,14-15,19H,3-4,7-8H2,1-2H3/t14?,15-/m0/s1