[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl] 4-cyano-4-(3,7-dimethyloctyl)cyclohexane-1-carboxylate

Systemtic Name: [4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl] 4-cyano-4-(3,7-dimethyloctyl)cyclohexane-1-carboxylate Openeye Name: [4-(2-chloro-3-methyl-butanoyl)oxyphenyl] 4-cyano-4-(3,7-dimethyloctyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(3,7-dimethyloctyl)-1-cyclohexanecarboxylic acid [4-(2-chloro-3-methyl-1-oxobutoxy)phenyl] ester IUPAC Name: [4-(2-chloro-3-methylbutanoyl)oxyphenyl] 4-cyano-4-(3,7-dimethyloctyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(3,7-dimethyloctyl)cyclohexanecarboxylic acid [4-(2-chloro-3-methyl-butanoyl)oxyphenyl] ester Formula: C29H42ClNO4 MolecularWeight: 504.10108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CC(C)CCCC(C)CCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C29H42ClNO4/c1-20(2)7-6-8-22(5)13-16-29(19-31)17-14-23(15-18-29)27(32)34-24-9-11-25(12-10-24)35-28(33)26(30)21(3)4/h9-12,20-23,26H,6-8,13-18H2,1-5H3