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

Systemtic Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-pentyl-cyclohexyl)phenyl]benzoate Openeye Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-pentyl-cyclohexyl)phenyl]benzoate CAS Name: 4-[4-(4-cyano-4-pentylcyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-pentylcyclohexyl)phenyl]benzoate Traditional Name: 4-[4-(4-amyl-4-cyano-cyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C35H49NO2/c1-5-6-7-22-35(26-36)23-19-32(20-24-35)31-13-11-29(12-14-31)30-15-17-33(18-16-30)34(37)38-25-21-28(4)10-8-9-27(2)3/h11-18,27-28,32H,5-10,19-25H2,1-4H3