2-(4-chlorophenyl)-3-cyano-3-methyl-2-[(3-phenoxyphenyl)methyl]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO3/c1-24(2,17-27)25(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)