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

Systemtic Name: [4-[4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-[4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-[4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-[4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] ester Formula: C29H36ClNO2 MolecularWeight: 466.05464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCC(C)CC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C29H36ClNO2/c1-5-21(4)18-29(19-31)16-14-25(15-17-29)23-8-6-22(7-9-23)24-10-12-26(13-11-24)33-28(32)27(30)20(2)3/h6-13,20-21,25,27H,5,14-18H2,1-4H3