(phenylmethyl) 2-(4-chlorophenyl)-2-cyano-3-methyl-3-phenoxy-pentanoate

Systemtic Name: (phenylmethyl) 2-(4-chlorophenyl)-2-cyano-3-methyl-3-phenoxy-pentanoate Openeye Name: benzyl 2-(4-chlorophenyl)-2-cyano-3-methyl-3-phenoxy-pentanoate CAS Name: 2-(4-chlorophenyl)-2-cyano-3-methyl-3-phenoxypentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-chlorophenyl)-2-cyano-3-methyl-3-phenoxypentanoate Traditional Name: 2-(4-chlorophenyl)-2-cyano-3-methyl-3-phenoxy-valeric acid benzyl ester Formula: C26H24ClNO3 MolecularWeight: 433.92666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C#N)(C1=CC=C(C=C1)Cl)C(=O)OCC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C(C#N)(C1=CC=C(C=C1)Cl)C(=O)OCC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H24ClNO3/c1-3-25(2,31-23-12-8-5-9-13-23)26(19-28,21-14-16-22(27)17-15-21)24(29)30-18-20-10-6-4-7-11-20/h4-17H,3,18H2,1-2H3