2-[4-[5-(4-chlorophenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[5-(4-chlorophenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[5-(4-chlorophenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[5-(4-chlorophenyl)pent-4-ynoxy]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[5-(4-chlorophenyl)pent-4-ynoxy]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[5-(4-chlorophenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C22H23ClO4 MolecularWeight: 386.86862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClO4/c1-16-15-19(12-13-20(16)27-22(2,3)21(24)25)26-14-6-4-5-7-17-8-10-18(23)11-9-17/h8-13,15H,4,6,14H2,1-3H3,(H,24,25)