(2,3-dicyano-4-hexoxy-phenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (2,3-dicyano-4-hexoxy-phenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-dicyano-4-hexoxy-phenyl) 4-(4-propylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-propylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-dicyano-4-hexoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-hexoxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-propylcyclohexyl)cyclohexanecarboxylic acid (2,3-dicyano-4-hexoxy-phenyl) ester Formula: C30H42N2O3 MolecularWeight: 478.66608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCC)C#N)C#N

InChI

InChI=1S/C30H42N2O3/c1-3-5-6-7-19-34-28-17-18-29(27(21-32)26(28)20-31)35-30(33)25-15-13-24(14-16-25)23-11-9-22(8-4-2)10-12-23/h17-18,22-25H,3-16,19H2,1-2H3