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

Systemtic Name: (2,3-dicyano-4-pentoxy-phenyl) 4-(4-pentylcyclohexyl)benzoate Openeye Name: (2,3-dicyano-4-pentoxy-phenyl) 4-(4-pentylcyclohexyl)benzoate CAS Name: 4-(4-pentylcyclohexyl)benzoic acid (2,3-dicyano-4-pentoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-pentoxyphenyl) 4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)benzoic acid (4-amoxy-2,3-dicyano-phenyl) ester Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCCC)C#N)C#N

InChI

InChI=1S/C31H38N2O3/c1-3-5-7-9-23-10-12-24(13-11-23)25-14-16-26(17-15-25)31(34)36-30-19-18-29(35-20-8-6-4-2)27(21-32)28(30)22-33/h14-19,23-24H,3-13,20H2,1-2H3