[cyano-[3-(2-oxidanylphenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [cyano-[3-(2-oxidanylphenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [cyano-[3-(2-hydroxyphenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [cyano-[3-(2-hydroxyphenoxy)phenyl]methyl] ester IUPAC Name: [cyano-[3-(2-hydroxyphenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [cyano-[3-(2-hydroxyphenoxy)phenyl]methyl] ester Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3O

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3O

InChI

InChI=1S/C25H22ClNO4/c1-16(2)24(17-10-12-19(26)13-11-17)25(29)31-23(15-27)18-6-5-7-20(14-18)30-22-9-4-3-8-21(22)28/h3-14,16,23-24,28H,1-2H3