pentyl 4-[4-(4-butylcyclohexyl)cyclohexyl]-1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: pentyl 4-[4-(4-butylcyclohexyl)cyclohexyl]-1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: pentyl 4-[4-(4-butylcyclohexyl)cyclohexyl]-1-methyl-2-oxo-cyclohexanecarboxylate CAS Name: 4-[4-(4-butylcyclohexyl)cyclohexyl]-1-methyl-2-oxo-1-cyclohexanecarboxylic acid pentyl ester IUPAC Name: pentyl 4-[4-(4-butylcyclohexyl)cyclohexyl]-1-methyl-2-oxocyclohexane-1-carboxylate Traditional Name: 4-[4-(4-butylcyclohexyl)cyclohexyl]-2-keto-1-methyl-cyclohexanecarboxylic acid amyl ester Formula: C29H50O3 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1(CCC(CC1=O)C2CCC(CC2)C3CCC(CC3)CCCC)C

Isomeric SMILES

CCCCCOC(=O)C1(CCC(CC1=O)C2CCC(CC2)C3CCC(CC3)CCCC)C

InChI

InChI=1S/C29H50O3/c1-4-6-8-20-32-28(31)29(3)19-18-26(21-27(29)30)25-16-14-24(15-17-25)23-12-10-22(11-13-23)9-7-5-2/h22-26H,4-21H2,1-3H3