(4-pentylphenyl) 4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexane-1-carboxylate

Systemtic Name: (4-pentylphenyl) 4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C30H46O2 MolecularWeight: 438.68504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46O2/c1-3-5-6-9-27-18-22-29(23-19-27)32-30(31)28-20-16-26(17-21-28)11-8-7-10-25-14-12-24(4-2)13-15-25/h7,10,18-19,22-26,28H,3-6,8-9,11-17,20-21H2,1-2H3/b10-7+