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

Systemtic Name: 2-[4-chloranyl-2-[1-cyano-2-methyl-1-(3-phenoxyphenyl)propan-2-yl]phenyl]ethanoic acid Openeye Name: 2-[4-chloro-2-[2-cyano-1,1-dimethyl-2-(3-phenoxyphenyl)ethyl]phenyl]acetic acid CAS Name: 2-[4-chloro-2-[1-cyano-2-methyl-1-(3-phenoxyphenyl)propan-2-yl]phenyl]acetic acid IUPAC Name: 2-[4-chloro-2-[1-cyano-2-methyl-1-(3-phenoxyphenyl)propan-2-yl]phenyl]acetic acid Traditional Name: 2-[4-chloro-2-[2-cyano-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)(C1=C(C=CC(=C1)Cl)CC(=O)O)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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