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

Systemtic Name: (4-chloranyl-3-phenoxy-phenyl) 2-cyano-3-methyl-2-(phenylmethyl)butanoate Openeye Name: (4-chloro-3-phenoxy-phenyl) 2-benzyl-2-cyano-3-methyl-butanoate CAS Name: 2-cyano-3-methyl-2-(phenylmethyl)butanoic acid (4-chloro-3-phenoxyphenyl) ester IUPAC Name: (4-chloro-3-phenoxyphenyl) 2-benzyl-2-cyano-3-methylbutanoate Traditional Name: 2-benzyl-2-cyano-3-methyl-butyric acid (4-chloro-3-phenoxy-phenyl) ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=CC=CC=C1)(C#N)C(=O)OC2=CC(=C(C=C2)Cl)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(CC1=CC=CC=C1)(C#N)C(=O)OC2=CC(=C(C=C2)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C25H22ClNO3/c1-18(2)25(17-27,16-19-9-5-3-6-10-19)24(28)30-21-13-14-22(26)23(15-21)29-20-11-7-4-8-12-20/h3-15,18H,16H2,1-2H3