(4-cyanophenyl) 4-[4-(3-ethylpentyl)cyclohexen-1-yl]benzoate

Systemtic Name: (4-cyanophenyl) 4-[4-(3-ethylpentyl)cyclohexen-1-yl]benzoate Openeye Name: (4-cyanophenyl) 4-[4-(3-ethylpentyl)cyclohexen-1-yl]benzoate CAS Name: 4-[4-(3-ethylpentyl)-1-cyclohexenyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[4-(3-ethylpentyl)cyclohexen-1-yl]benzoate Traditional Name: 4-[4-(3-ethylpentyl)cyclohexen-1-yl]benzoic acid (4-cyanophenyl) ester Formula: C27H31NO2 MolecularWeight: 401.54054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(CC)CCC1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H31NO2/c1-3-20(4-2)5-6-21-7-11-23(12-8-21)24-13-15-25(16-14-24)27(29)30-26-17-9-22(19-28)10-18-26/h9-11,13-18,20-21H,3-8,12H2,1-2H3