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

Systemtic Name: (4-butoxy-2,3-dicyano-phenyl) 4-(4-ethylcyclohexyl)benzoate Openeye Name: (4-butoxy-2,3-dicyano-phenyl) 4-(4-ethylcyclohexyl)benzoate CAS Name: 4-(4-ethylcyclohexyl)benzoic acid (4-butoxy-2,3-dicyanophenyl) ester IUPAC Name: (4-butoxy-2,3-dicyanophenyl) 4-(4-ethylcyclohexyl)benzoate Traditional Name: 4-(4-ethylcyclohexyl)benzoic acid (4-butoxy-2,3-dicyano-phenyl) ester Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC)C#N)C#N

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC)C#N)C#N

InChI

InChI=1S/C27H30N2O3/c1-3-5-16-31-25-14-15-26(24(18-29)23(25)17-28)32-27(30)22-12-10-21(11-13-22)20-8-6-19(4-2)7-9-20/h10-15,19-20H,3-9,16H2,1-2H3