[1-(4-cyanoheptyl)cyclohexyl] 4-(4-decoxy-2-fluoranyl-phenyl)benzoate

Systemtic Name: [1-(4-cyanoheptyl)cyclohexyl] 4-(4-decoxy-2-fluoranyl-phenyl)benzoate Openeye Name: [1-(4-cyanoheptyl)cyclohexyl] 4-(4-decoxy-2-fluoro-phenyl)benzoate CAS Name: 4-(4-decoxy-2-fluorophenyl)benzoic acid [1-(4-cyanoheptyl)cyclohexyl] ester IUPAC Name: [1-(4-cyanoheptyl)cyclohexyl] 4-(4-decoxy-2-fluorophenyl)benzoate Traditional Name: 4-(4-decoxy-2-fluoro-phenyl)benzoic acid [1-(4-cyanoheptyl)cyclohexyl] ester Formula: C37H52FNO3 MolecularWeight: 577.812083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3(CCCCC3)CCCC(CCC)C#N)F

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3(CCCCC3)CCCC(CCC)C#N)F

InChI

InChI=1S/C37H52FNO3/c1-3-5-6-7-8-9-10-14-27-41-33-22-23-34(35(38)28-33)31-18-20-32(21-19-31)36(40)42-37(24-12-11-13-25-37)26-15-17-30(29-39)16-4-2/h18-23,28,30H,3-17,24-27H2,1-2H3