(4-propylphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-propylphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-propylphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-3-cyano-benzoic acid (4-propylphenyl) ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)C#N

Isomeric SMILES

CCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)C#N

InChI

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