(2S,3S)-2-(4-hydroxyphenyl)-1-(4-oxidanylcyclohexyl)-4-oxidanylidene-azetidine-3-carbonitrile

Systemtic Name: (2S,3S)-2-(4-hydroxyphenyl)-1-(4-oxidanylcyclohexyl)-4-oxidanylidene-azetidine-3-carbonitrile Openeye Name: (2S,3S)-1-(4-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-4-oxo-azetidine-3-carbonitrile CAS Name: (2S,3S)-1-(4-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-4-oxo-3-azetidinecarbonitrile IUPAC Name: (2S,3S)-1-(4-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-4-oxoazetidine-3-carbonitrile Traditional Name: (2S,3S)-1-(4-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-4-keto-azetidine-3-carbonitrile Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C(C(C2=O)C#N)C3=CC=C(C=C3)O)O

Isomeric SMILES

C1CC(CCC1N2[C@@H]([C@H](C2=O)C#N)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C16H18N2O3/c17-9-14-15(10-1-5-12(19)6-2-10)18(16(14)21)11-3-7-13(20)8-4-11/h1-2,5-6,11,13-15,19-20H,3-4,7-8H2/t11?,13?,14-,15-/m1/s1