4-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzenecarbonitrile

Systemtic Name: 4-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzenecarbonitrile Openeye Name: 4-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile CAS Name: 4-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]benzonitrile IUPAC Name: 4-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile Traditional Name: 4-[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=C(C=C2)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-18(2)12-21-17(22-13-18)6-4-3-5-16(20)15-9-7-14(11-19)8-10-15/h7-10,17H,3-6,12-13H2,1-2H3