[4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] 2-chloranyl-3-methyl-butanoate

Systemtic Name: [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] ester IUPAC Name: [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] ester Formula: C23H32ClNO2 MolecularWeight: 389.95868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClNO2/c1-5-17(4)14-23(15-25)12-10-19(11-13-23)18-6-8-20(9-7-18)27-22(26)21(24)16(2)3/h6-9,16-17,19,21H,5,10-14H2,1-4H3