[4-[4-cyano-4-(3,7-dimethyloctyl)cyclohexyl]phenyl] 2-chloranyl-3-methyl-butanoate

Systemtic Name: [4-[4-cyano-4-(3,7-dimethyloctyl)cyclohexyl]phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-[4-cyano-4-(3,7-dimethyloctyl)cyclohexyl]phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-[4-cyano-4-(3,7-dimethyloctyl)cyclohexyl]phenyl] ester IUPAC Name: [4-[4-cyano-4-(3,7-dimethyloctyl)cyclohexyl]phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-[4-cyano-4-(3,7-dimethyloctyl)cyclohexyl]phenyl] ester Formula: C28H42ClNO2 MolecularWeight: 460.09158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCC1(CCC(CC1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CC(C)CCCC(C)CCC1(CCC(CC1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C28H42ClNO2/c1-20(2)7-6-8-22(5)13-16-28(19-30)17-14-24(15-18-28)23-9-11-25(12-10-23)32-27(31)26(29)21(3)4/h9-12,20-22,24,26H,6-8,13-18H2,1-5H3