[4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-(1-cyano-2-hexylcyclopropyl)phenyl] ester IUPAC Name: [4-(1-cyano-2-hexylcyclopropyl)phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] ester Formula: C37H45NO3 MolecularWeight: 551.7581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4(CC4CCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4(CC4CCCCCC)C#N

InChI

InChI=1S/C37H45NO3/c1-3-5-7-9-10-12-26-40-34-22-18-30(19-23-34)29-14-16-31(17-15-29)36(39)41-35-24-20-32(21-25-35)37(28-38)27-33(37)13-11-8-6-4-2/h14-25,33H,3-13,26-27H2,1-2H3