[3-methyl-4-(4-pentylcyclohexyl)carbonyloxy-phenyl] 4-methylcyclohexane-1-carboxylate

Systemtic Name: [3-methyl-4-(4-pentylcyclohexyl)carbonyloxy-phenyl] 4-methylcyclohexane-1-carboxylate Openeye Name: [3-methyl-4-(4-pentylcyclohexanecarbonyl)oxy-phenyl] 4-methylcyclohexanecarboxylate CAS Name: 4-methyl-1-cyclohexanecarboxylic acid [3-methyl-4-[oxo-(4-pentylcyclohexyl)methoxy]phenyl] ester IUPAC Name: [3-methyl-4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate Traditional Name: 4-methylcyclohexanecarboxylic acid [4-(4-amylcyclohexanecarbonyl)oxy-3-methyl-phenyl] ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)OC(=O)C3CCC(CC3)C)C

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)OC(=O)C3CCC(CC3)C)C

InChI

InChI=1S/C27H40O4/c1-4-5-6-7-21-10-14-23(15-11-21)27(29)31-25-17-16-24(18-20(25)3)30-26(28)22-12-8-19(2)9-13-22/h16-19,21-23H,4-15H2,1-3H3