4-[5-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzonitrile CAS Name: 4-[5-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzonitrile IUPAC Name: 4-[5-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzonitrile Traditional Name: 4-[5-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzonitrile Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)CCC2COC(OC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1COC(OC1)CCC2COC(OC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H29NO4/c1-2-3-4-17-12-23-20(24-13-17)10-7-18-14-25-21(26-15-18)19-8-5-16(11-22)6-9-19/h5-6,8-9,17-18,20-21H,2-4,7,10,12-15H2,1H3