2-[4-chloranyl-3-cyano-2-[2-methyl-1-(3-phenoxyphenyl)propan-2-yl]phenyl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-3-cyano-2-[2-methyl-1-(3-phenoxyphenyl)propan-2-yl]phenyl]ethanoic acid Openeye Name: 2-[4-chloro-3-cyano-2-[1,1-dimethyl-2-(3-phenoxyphenyl)ethyl]phenyl]acetic acid CAS Name: 2-[4-chloro-3-cyano-2-[2-methyl-1-(3-phenoxyphenyl)propan-2-yl]phenyl]acetic acid IUPAC Name: 2-[4-chloro-3-cyano-2-[2-methyl-1-(3-phenoxyphenyl)propan-2-yl]phenyl]acetic acid Traditional Name: 2-[4-chloro-3-cyano-2-[1,1-dimethyl-2-(3-phenoxyphenyl)ethyl]phenyl]acetic acid Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC(=CC=C1)OC2=CC=CC=C2)C3=C(C=CC(=C3C#N)Cl)CC(=O)O

Isomeric SMILES

CC(C)(CC1=CC(=CC=C1)OC2=CC=CC=C2)C3=C(C=CC(=C3C#N)Cl)CC(=O)O

InChI

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