(4-pentanoyloxyphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexane-1-carboxylate

Systemtic Name: (4-pentanoyloxyphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexane-1-carboxylate Openeye Name: (4-pentanoyloxyphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 4-[4-(2-methylbutyl)cyclohexyl]-1-cyclohexanecarboxylic acid [4-(1-oxopentoxy)phenyl] ester IUPAC Name: (4-pentanoyloxyphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexane-1-carboxylate Traditional Name: 4-[4-(2-methylbutyl)cyclohexyl]cyclohexanecarboxylic acid (4-valeryloxyphenyl) ester Formula: C29H44O4 MolecularWeight: 456.65726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CC(C)CC

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CC(C)CC

InChI

InChI=1S/C29H44O4/c1-4-6-7-28(30)32-26-16-18-27(19-17-26)33-29(31)25-14-12-24(13-15-25)23-10-8-22(9-11-23)20-21(3)5-2/h16-19,21-25H,4-15,20H2,1-3H3