(4-pentylphenyl) 4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane-1-carboxylate

Systemtic Name: (4-pentylphenyl) 4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-[(E)-2-(4-propylcyclohexyl)vinyl]cyclohexanecarboxylate CAS Name: 4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-2-(4-propylcyclohexyl)vinyl]cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C29H44O2 MolecularWeight: 424.65846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=CC3CCC(CC3)CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C/C3CCC(CC3)CCC

InChI

InChI=1S/C29H44O2/c1-3-5-6-8-24-17-21-28(22-18-24)31-29(30)27-19-15-26(16-20-27)14-13-25-11-9-23(7-4-2)10-12-25/h13-14,17-18,21-23,25-27H,3-12,15-16,19-20H2,1-2H3/b14-13+