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

Systemtic Name: (4-ethylphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-ethylphenyl) 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-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 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-ethylphenyl) ester Formula: C25H29NO4 MolecularWeight: 407.50206

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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)CC)C#N

Isomeric SMILES

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

InChI

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