(4-pentylphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-cyano-benzoate

Systemtic Name: (4-pentylphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-cyano-benzoate Openeye Name: (4-pentylphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-cyanobenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-cyanobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoic acid (4-amylphenyl) ester Formula: C24H26ClNO4 MolecularWeight: 427.92054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C24H26ClNO4/c1-4-5-6-7-17-8-11-20(12-9-17)29-23(27)18-10-13-21(19(14-18)15-26)30-24(28)22(25)16(2)3/h8-14,16,22H,4-7H2,1-3H3