[cyano(phenyl)methyl] 2-(4-chloranyl-3-phenoxy-phenyl)-3-methyl-butanoate

Systemtic Name: [cyano(phenyl)methyl] 2-(4-chloranyl-3-phenoxy-phenyl)-3-methyl-butanoate Openeye Name: [cyano(phenyl)methyl] 2-(4-chloro-3-phenoxy-phenyl)-3-methyl-butanoate CAS Name: 2-(4-chloro-3-phenoxyphenyl)-3-methylbutanoic acid [cyano(phenyl)methyl] ester IUPAC Name: [cyano(phenyl)methyl] 2-(4-chloro-3-phenoxyphenyl)-3-methylbutanoate Traditional Name: 2-(4-chloro-3-phenoxy-phenyl)-3-methyl-butyric acid [cyano(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)OC2=CC=CC=C2)C(=O)OC(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=CC(=C(C=C1)Cl)OC2=CC=CC=C2)C(=O)OC(C#N)C3=CC=CC=C3

InChI

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