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

Systemtic Name: propyl 4-[4-(4-butylcyclohexyl)cyclohexyl]-1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: propyl 4-[4-(4-butylcyclohexyl)cyclohexyl]-1-methyl-2-oxo-cyclohexanecarboxylate CAS Name: 4-[4-(4-butylcyclohexyl)cyclohexyl]-1-methyl-2-oxo-1-cyclohexanecarboxylic acid propyl ester IUPAC Name: propyl 4-[4-(4-butylcyclohexyl)cyclohexyl]-1-methyl-2-oxocyclohexane-1-carboxylate Traditional Name: 4-[4-(4-butylcyclohexyl)cyclohexyl]-2-keto-1-methyl-cyclohexanecarboxylic acid propyl ester Formula: C27H46O3 MolecularWeight: 418.65234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(CC2)C3CCC(C(=O)C3)(C)C(=O)OCCC

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(CC2)C3CCC(C(=O)C3)(C)C(=O)OCCC

InChI

InChI=1S/C27H46O3/c1-4-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-17-27(3,25(28)19-24)26(29)30-18-5-2/h20-24H,4-19H2,1-3H3