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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-nonylcyclohexyl)benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-nonylcyclohexyl)benzoate CAS Name: 3-cyano-4-(4-nonylcyclohexyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-nonylcyclohexyl)benzoate Traditional Name: 3-cyano-4-(4-nonylcyclohexyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C42H55NO3 MolecularWeight: 621.891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1CCC(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/C42H55NO3/c1-3-5-7-9-10-11-13-15-33-16-18-36(19-17-33)41-29-24-37(31-38(41)32-43)42(44)46-40-27-22-35(23-28-40)34-20-25-39(26-21-34)45-30-14-12-8-6-4-2/h20-29,31,33,36H,3-19,30H2,1-2H3