methyl 2-(4-chlorophenyl)-3-cyano-3-methyl-2-(3-phenoxyphenyl)butanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-3-cyano-3-methyl-2-(3-phenoxyphenyl)butanoate Openeye Name: methyl 2-(4-chlorophenyl)-3-cyano-3-methyl-2-(3-phenoxyphenyl)butanoate CAS Name: 2-(4-chlorophenyl)-3-cyano-3-methyl-2-(3-phenoxyphenyl)butanoic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-3-cyano-3-methyl-2-(3-phenoxyphenyl)butanoate Traditional Name: 2-(4-chlorophenyl)-3-cyano-3-methyl-2-(3-phenoxyphenyl)butyric acid methyl ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO3/c1-24(2,17-27)25(23(28)29-3,18-12-14-20(26)15-13-18)19-8-7-11-22(16-19)30-21-9-5-4-6-10-21/h4-16H,1-3H3