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

Systemtic Name: (4-propylphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-propylphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-2-cyano-cyclohexanecarboxylic acid (4-propylphenyl) ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2CCC(C(C2)C#N)C(=O)OC3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCC1COC(OC1)C2CCC(C(C2)C#N)C(=O)OC3=CC=C(C=C3)CCC

InChI

InChI=1S/C26H37NO4/c1-3-5-6-8-20-17-29-26(30-18-20)21-11-14-24(22(15-21)16-27)25(28)31-23-12-9-19(7-4-2)10-13-23/h9-10,12-13,20-22,24,26H,3-8,11,14-15,17-18H2,1-2H3