2-[(1S,4S)-4-oxidanyl-3-oxidanylidene-cyclohexyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propanenitrile

Systemtic Name: 2-[(1S,4S)-4-oxidanyl-3-oxidanylidene-cyclohexyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propanenitrile Openeye Name: 3-benzyloxy-2-(benzyloxymethyl)-2-[(1S,4S)-4-hydroxy-3-oxo-cyclohexyl]propanenitrile CAS Name: 2-[(1S,4S)-4-hydroxy-3-oxocyclohexyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propanenitrile IUPAC Name: 2-[(1S,4S)-4-hydroxy-3-oxocyclohexyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propanenitrile Traditional Name: 3-benzoxy-2-(benzoxymethyl)-2-[(1S,4S)-4-hydroxy-3-keto-cyclohexyl]propionitrile Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CC1C(COCC2=CC=CC=C2)(COCC3=CC=CC=C3)C#N)O

Isomeric SMILES

C1C[C@@H](C(=O)C[C@H]1C(COCC2=CC=CC=C2)(COCC3=CC=CC=C3)C#N)O

InChI

InChI=1S/C24H27NO4/c25-16-24(21-11-12-22(26)23(27)13-21,17-28-14-19-7-3-1-4-8-19)18-29-15-20-9-5-2-6-10-20/h1-10,21-22,26H,11-15,17-18H2/t21-,22-/m0/s1