1-[1-cyano-4-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexyl]propan-2-yl 2-chloranyl-3-methyl-butanoate

Systemtic Name: 1-[1-cyano-4-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexyl]propan-2-yl 2-chloranyl-3-methyl-butanoate Openeye Name: [2-[1-cyano-4-[4-[4-(1-methylheptoxy)phenyl]phenyl]cyclohexyl]-1-methyl-ethyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid 1-[1-cyano-4-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexyl]propan-2-yl ester IUPAC Name: 1-[1-cyano-4-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexyl]propan-2-yl 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [2-[1-cyano-4-[4-[4-(1-methylheptoxy)phenyl]phenyl]cyclohexyl]-1-methyl-ethyl] ester Formula: C35H48ClNO3 MolecularWeight: 566.21352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C35H48ClNO3/c1-6-7-8-9-10-26(4)39-32-17-15-30(16-18-32)28-11-13-29(14-12-28)31-19-21-35(24-37,22-20-31)23-27(5)40-34(38)33(36)25(2)3/h11-18,25-27,31,33H,6-10,19-23H2,1-5H3