3-[6-oxidanyl-3-oxidanylidene-2-(3-phenylpropyl)cyclohexen-1-yl]oxypropanenitrile

Systemtic Name: 3-[6-oxidanyl-3-oxidanylidene-2-(3-phenylpropyl)cyclohexen-1-yl]oxypropanenitrile Openeye Name: 3-[6-hydroxy-3-oxo-2-(3-phenylpropyl)cyclohexen-1-yl]oxypropanenitrile CAS Name: 3-[[6-hydroxy-3-oxo-2-(3-phenylpropyl)-1-cyclohexenyl]oxy]propanenitrile IUPAC Name: 3-[6-hydroxy-3-oxo-2-(3-phenylpropyl)cyclohexen-1-yl]oxypropanenitrile Traditional Name: 3-[6-hydroxy-3-keto-2-(3-phenylpropyl)cyclohexen-1-yl]oxypropionitrile Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(C1O)OCCC#N)CCCC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)C(=C(C1O)OCCC#N)CCCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3/c19-12-5-13-22-18-15(16(20)10-11-17(18)21)9-4-8-14-6-2-1-3-7-14/h1-3,6-7,17,21H,4-5,8-11,13H2