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

Systemtic Name: (4-cyanophenyl) 4-(5-heptyl-4-methyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-cyanophenyl) 4-(5-heptyl-4-methyl-1,3-dioxan-2-yl)benzoate CAS Name: 4-(5-heptyl-4-methyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(5-heptyl-4-methyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-heptyl-4-methyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1COC(OC1C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H31NO4/c1-3-4-5-6-7-8-23-18-29-26(30-19(23)2)22-13-11-21(12-14-22)25(28)31-24-15-9-20(17-27)10-16-24/h9-16,19,23,26H,3-8,18H2,1-2H3