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

Systemtic Name: (4-pentoxyphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-cyano-benzoate Openeye Name: (4-pentoxyphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-cyanobenzoic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-cyanobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoic acid (4-amoxyphenyl) ester Formula: C24H26ClNO5 MolecularWeight: 443.91994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C24H26ClNO5/c1-4-5-6-13-29-19-8-10-20(11-9-19)30-23(27)17-7-12-21(18(14-17)15-26)31-24(28)22(25)16(2)3/h7-12,14,16,22H,4-6,13H2,1-3H3