(4-cyanocyclohexyl) 4-(4-pentoxyphenyl)benzoate

Systemtic Name: (4-cyanocyclohexyl) 4-(4-pentoxyphenyl)benzoate Openeye Name: (4-cyanocyclohexyl) 4-(4-pentoxyphenyl)benzoate CAS Name: 4-(4-pentoxyphenyl)benzoic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-(4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxyphenyl)benzoic acid (4-cyanocyclohexyl) ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

InChI

InChI=1S/C25H29NO3/c1-2-3-4-17-28-23-15-11-21(12-16-23)20-7-9-22(10-8-20)25(27)29-24-13-5-19(18-26)6-14-24/h7-12,15-16,19,24H,2-6,13-14,17H2,1H3