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

Systemtic Name: [4-[4-[4-cyano-4-(3-methyloctyl)cyclohexyl]phenyl]phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-[4-[4-cyano-4-(3-methyloctyl)cyclohexyl]phenyl]phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-[4-[4-cyano-4-(3-methyloctyl)cyclohexyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[4-cyano-4-(3-methyloctyl)cyclohexyl]phenyl]phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-[4-[4-cyano-4-(3-methyloctyl)cyclohexyl]phenyl]phenyl] ester Formula: C33H44ClNO2 MolecularWeight: 522.16096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCCCCC(C)CCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C33H44ClNO2/c1-5-6-7-8-25(4)17-20-33(23-35)21-18-29(19-22-33)27-11-9-26(10-12-27)28-13-15-30(16-14-28)37-32(36)31(34)24(2)3/h9-16,24-25,29,31H,5-8,17-22H2,1-4H3