2-(3-oxidanylidenecyclohexyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)propanenitrile

Systemtic Name: 2-(3-oxidanylidenecyclohexyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)propanenitrile Openeye Name: 3-benzyloxy-2-(benzyloxymethyl)-2-(3-oxocyclohexyl)propanenitrile CAS Name: 2-(3-oxocyclohexyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)propanenitrile IUPAC Name: 2-(3-oxocyclohexyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)propanenitrile Traditional Name: 3-benzoxy-2-(benzoxymethyl)-2-(3-ketocyclohexyl)propionitrile Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)C(COCC2=CC=CC=C2)(COCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CC(CC(=O)C1)C(COCC2=CC=CC=C2)(COCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H27NO3/c25-17-24(22-12-7-13-23(26)14-22,18-27-15-20-8-3-1-4-9-20)19-28-16-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-16,18-19H2