(2,3-dicyano-4-pentoxy-phenyl) 4-(4-ethylcyclohexyl)benzoate

Systemtic Name: (2,3-dicyano-4-pentoxy-phenyl) 4-(4-ethylcyclohexyl)benzoate Openeye Name: (2,3-dicyano-4-pentoxy-phenyl) 4-(4-ethylcyclohexyl)benzoate CAS Name: 4-(4-ethylcyclohexyl)benzoic acid (2,3-dicyano-4-pentoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-pentoxyphenyl) 4-(4-ethylcyclohexyl)benzoate Traditional Name: 4-(4-ethylcyclohexyl)benzoic acid (4-amoxy-2,3-dicyano-phenyl) ester Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC)C#N)C#N

Isomeric SMILES

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC)C#N)C#N

InChI

InChI=1S/C28H32N2O3/c1-3-5-6-17-32-26-15-16-27(25(19-30)24(26)18-29)33-28(31)23-13-11-22(12-14-23)21-9-7-20(4-2)8-10-21/h11-16,20-21H,3-10,17H2,1-2H3