[4-[4-(2-methylbutyl)cyclohexyl]phenyl] 4-propylbenzoate

Systemtic Name: [4-[4-(2-methylbutyl)cyclohexyl]phenyl] 4-propylbenzoate Openeye Name: [4-[4-(2-methylbutyl)cyclohexyl]phenyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[4-(2-methylbutyl)cyclohexyl]phenyl] ester IUPAC Name: [4-[4-(2-methylbutyl)cyclohexyl]phenyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[4-(2-methylbutyl)cyclohexyl]phenyl] ester Formula: C27H36O2 MolecularWeight: 392.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CC(C)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CC(C)CC

InChI

InChI=1S/C27H36O2/c1-4-6-21-7-13-25(14-8-21)27(28)29-26-17-15-24(16-18-26)23-11-9-22(10-12-23)19-20(3)5-2/h7-8,13-18,20,22-23H,4-6,9-12,19H2,1-3H3