3,7-dimethyloctyl 4-[4-(4-cyano-4-heptyl-cyclohexyl)phenyl]benzoate

Systemtic Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-heptyl-cyclohexyl)phenyl]benzoate Openeye Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-heptyl-cyclohexyl)phenyl]benzoate CAS Name: 4-[4-(4-cyano-4-heptylcyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-heptylcyclohexyl)phenyl]benzoate Traditional Name: 4-[4-(4-cyano-4-heptyl-cyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester Formula: C37H53NO2 MolecularWeight: 543.82222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C37H53NO2/c1-5-6-7-8-9-24-37(28-38)25-21-34(22-26-37)33-15-13-31(14-16-33)32-17-19-35(20-18-32)36(39)40-27-23-30(4)12-10-11-29(2)3/h13-20,29-30,34H,5-12,21-27H2,1-4H3