(4-cyanophenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate

Systemtic Name: (4-cyanophenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate Openeye Name: (4-cyanophenyl) 4-[4-(1-methylhexyl)cyclohexen-1-yl]benzoate CAS Name: 4-(4-heptan-2-yl-1-cyclohexenyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate Traditional Name: 4-[4-(1-methylhexyl)cyclohexen-1-yl]benzoic acid (4-cyanophenyl) ester Formula: C27H31NO2 MolecularWeight: 401.54054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC(C)C1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H31NO2/c1-3-4-5-6-20(2)22-9-11-23(12-10-22)24-13-15-25(16-14-24)27(29)30-26-17-7-21(19-28)8-18-26/h7-8,11,13-18,20,22H,3-6,9-10,12H2,1-2H3