[4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-octylcyclohexyl)benzoate

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-octylcyclohexyl)benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-octylcyclohexyl)benzoate CAS Name: 3-cyano-4-(4-octylcyclohexyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-octylcyclohexyl)benzoate Traditional Name: 3-cyano-4-(4-octylcyclohexyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C41H53NO3 MolecularWeight: 607.86442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCC)C#N

InChI

InChI=1S/C41H53NO3/c1-3-5-7-9-10-12-14-32-15-17-35(18-16-32)40-28-23-36(30-37(40)31-42)41(43)45-39-26-21-34(22-27-39)33-19-24-38(25-20-33)44-29-13-11-8-6-4-2/h19-28,30,32,35H,3-18,29H2,1-2H3