7-[2-(4-cyanophenyl)-1,3-dioxan-5-yl]heptyl ethanoate

Systemtic Name: 7-[2-(4-cyanophenyl)-1,3-dioxan-5-yl]heptyl ethanoate Openeye Name: 7-[2-(4-cyanophenyl)-1,3-dioxan-5-yl]heptyl acetate CAS Name: acetic acid 7-[2-(4-cyanophenyl)-1,3-dioxan-5-yl]heptyl ester IUPAC Name: 7-[2-(4-cyanophenyl)-1,3-dioxan-5-yl]heptyl acetate Traditional Name: acetic acid 7-[2-(4-cyanophenyl)-1,3-dioxan-5-yl]heptyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCCC1COC(OC1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)OCCCCCCCC1COC(OC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H27NO4/c1-16(22)23-12-6-4-2-3-5-7-18-14-24-20(25-15-18)19-10-8-17(13-21)9-11-19/h8-11,18,20H,2-7,12,14-15H2,1H3