(cyano-phenoxy-phenyl-methyl) 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: (cyano-phenoxy-phenyl-methyl) 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (cyano-phenoxy-phenyl-methyl) 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid (cyano-phenoxy-phenylmethyl) ester IUPAC Name: (cyano-phenoxy-phenylmethyl) 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid (cyano-phenoxy-phenyl-methyl) ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

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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=C3

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)(C2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H22ClNO3/c1-18(2)23(19-13-15-21(26)16-14-19)24(28)30-25(17-27,20-9-5-3-6-10-20)29-22-11-7-4-8-12-22/h3-16,18,23H,1-2H3