(4-cyanophenyl) 4-(5-hexyl-4-methyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-cyanophenyl) 4-(5-hexyl-4-methyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-cyanophenyl) 4-(5-hexyl-4-methyl-1,3-dioxan-2-yl)benzoate CAS Name: 4-(5-hexyl-4-methyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(5-hexyl-4-methyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-hexyl-4-methyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1COC(OC1C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1COC(OC1C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H29NO4/c1-3-4-5-6-7-22-17-28-25(29-18(22)2)21-12-10-20(11-13-21)24(27)30-23-14-8-19(16-26)9-15-23/h8-15,18,22,25H,3-7,17H2,1-2H3