2-[4-[4-(4-chlorophenyl)but-3-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(4-chlorophenyl)but-3-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(4-chlorophenyl)but-3-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[4-(4-chlorophenyl)but-3-ynoxy]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(4-chlorophenyl)but-3-ynoxy]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(4-chlorophenyl)but-3-ynoxy]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C21H21ClO4 MolecularWeight: 372.84204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC#CC2=CC=C(C=C2)Cl)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC#CC2=CC=C(C=C2)Cl)OC(C)(C)C(=O)O

InChI

InChI=1S/C21H21ClO4/c1-15-14-18(11-12-19(15)26-21(2,3)20(23)24)25-13-5-4-6-16-7-9-17(22)10-8-16/h7-12,14H,5,13H2,1-3H3,(H,23,24)