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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(3-chlorophenyl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(3-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(3-chlorophenyl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(3-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(3-chlorophenyl)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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