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

Systemtic Name: (4-butylphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-butylphenyl) 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-butylphenyl) ester IUPAC Name: (4-butylphenyl) 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-butylphenyl) ester Formula: C27H33NO4 MolecularWeight: 435.55522

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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)CCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO4/c1-3-5-7-9-21-18-30-27(31-19-21)25-15-12-22(16-23(25)17-28)26(29)32-24-13-10-20(11-14-24)8-6-4-2/h10-16,21,27H,3-9,18-19H2,1-2H3