[1-cyano-2-(3-phenoxyphenyl)ethyl] 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [1-cyano-2-(3-phenoxyphenyl)ethyl] 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [1-cyano-2-(3-phenoxyphenyl)ethyl] 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [1-cyano-2-(3-phenoxyphenyl)ethyl] ester IUPAC Name: [1-cyano-2-(3-phenoxyphenyl)ethyl] 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [1-cyano-2-(3-phenoxyphenyl)ethyl] ester Formula: C26H24ClNO3 MolecularWeight: 433.92666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C26H24ClNO3/c1-18(2)25(20-11-13-21(27)14-12-20)26(29)31-24(17-28)16-19-7-6-10-23(15-19)30-22-8-4-3-5-9-22/h3-15,18,24-25H,16H2,1-2H3