(4-chloranyl-2-methyl-phenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: (4-chloro-2-methyl-phenyl) 4-[4-(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]butanoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(4-tert-amylphenoxy)butyric acid (4-chloro-2-methyl-phenyl) ester Formula: C22H27ClO3 MolecularWeight: 374.90098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C22H27ClO3/c1-5-22(3,4)17-8-11-19(12-9-17)25-14-6-7-21(24)26-20-13-10-18(23)15-16(20)2/h8-13,15H,5-7,14H2,1-4H3