[cyano-(3-phenoxyphenyl)methyl] 2-(2-chloranylphenoxy)-3-methyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(2-chloranylphenoxy)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(2-chlorophenoxy)-3-methyl-butanoate CAS Name: 2-(2-chlorophenoxy)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(2-chlorophenoxy)-3-methylbutanoate Traditional Name: 2-(2-chlorophenoxy)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)OC3=CC=CC=C3Cl

InChI

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