3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzenecarbonitrile

Systemtic Name: 3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzenecarbonitrile Openeye Name: 3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile CAS Name: 3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]benzonitrile IUPAC Name: 3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile Traditional Name: 3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)CCCCC(=O)C2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1(COC(OC1)CCCCC(=O)C2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C18H23NO3/c1-18(2)12-21-17(22-13-18)9-4-3-8-16(20)15-7-5-6-14(10-15)11-19/h5-7,10,17H,3-4,8-9,12-13H2,1-2H3