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

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

Systemtic Name:(4-heptylphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate
Openeye Name:(4-heptylphenyl) 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-heptylphenyl) ester
IUPAC Name:(4-heptylphenyl) 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-heptylphenyl) ester
Formula: C30H39NO4
MolecularWeight: 477.63496
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCC)C#N


Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCC)C#N


InChI

InChI=1S/C30H39NO4/c1-3-5-7-8-10-11-23-13-16-27(17-14-23)35-29(32)25-15-18-28(26(19-25)20-31)30-33-21-24(22-34-30)12-9-6-4-2/h13-19,24,30H,3-12,21-22H2,1-2H3


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