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

Systemtic Name: [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-(4-octan-2-yloxyphenyl)benzoate Openeye Name: [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-[4-(1-methylheptoxy)phenyl]benzoate CAS Name: 4-(4-octan-2-yloxyphenyl)benzoic acid [4-(1-cyano-2-hexylcyclopropyl)phenyl] ester IUPAC Name: [4-(1-cyano-2-hexylcyclopropyl)phenyl] 4-(4-octan-2-yloxyphenyl)benzoate Traditional Name: 4-[4-(1-methylheptoxy)phenyl]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:

CCCCCCC1CC1(C#N)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC(C)CCCCCC

Isomeric SMILES

CCCCCCC1CC1(C#N)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC(C)CCCCCC

InChI

InChI=1S/C37H45NO3/c1-4-6-8-10-12-28(3)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(27-38)26-33(37)13-11-9-7-5-2/h14-25,28,33H,4-13,26H2,1-3H3