2-(4-chlorophenyl)-2-cyano-3,3-dimethyl-4-(3-phenoxyphenyl)butanoate

Systemtic Name: 2-(4-chlorophenyl)-2-cyano-3,3-dimethyl-4-(3-phenoxyphenyl)butanoate Openeye Name: 2-(4-chlorophenyl)-2-cyano-3,3-dimethyl-4-(3-phenoxyphenyl)butanoate CAS Name: 2-(4-chlorophenyl)-2-cyano-3,3-dimethyl-4-(3-phenoxyphenyl)butanoate IUPAC Name: 2-(4-chlorophenyl)-2-cyano-3,3-dimethyl-4-(3-phenoxyphenyl)butanoate Traditional Name: 2-(4-chlorophenyl)-2-cyano-3,3-dimethyl-4-(3-phenoxyphenyl)butyrate Formula: C25H21ClNO3- MolecularWeight: 418.89214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC(=CC=C1)OC2=CC=CC=C2)C(C#N)(C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)(CC1=CC(=CC=C1)OC2=CC=CC=C2)C(C#N)(C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

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