[4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-propylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-propylphenyl)-1-cyclohexanecarboxylic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-propylphenyl)cyclohexanecarboxylic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester Formula: C27H37NO2 MolecularWeight: 407.58818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC=CC#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CC/C=C/C#N

InChI

InChI=1S/C27H37NO2/c1-2-6-21-8-12-23(13-9-21)24-14-16-25(17-15-24)27(29)30-26-18-10-22(11-19-26)7-4-3-5-20-28/h3,5,8-9,12-13,22,24-26H,2,4,6-7,10-11,14-19H2,1H3/b5-3+