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

Systemtic Name: (4-pentoxyphenyl) 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-pentoxyphenyl) 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 2-methyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-2-methyl-cyclohexanecarboxylic acid (4-amoxyphenyl) ester Formula: C28H44O5 MolecularWeight: 460.64596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44O5/c1-4-6-8-10-22-19-31-28(32-20-22)23-11-16-26(21(3)18-23)27(29)33-25-14-12-24(13-15-25)30-17-9-7-5-2/h12-15,21-23,26,28H,4-11,16-20H2,1-3H3