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

Systemtic Name: (4-pentoxyphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-pentoxyphenyl) 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-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 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-amoxyphenyl) ester Formula: C28H41NO5 MolecularWeight: 471.62884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO5/c1-3-5-7-9-21-19-32-28(33-20-21)22-10-15-26(23(17-22)18-29)27(30)34-25-13-11-24(12-14-25)31-16-8-6-4-2/h11-14,21-23,26,28H,3-10,15-17,19-20H2,1-2H3