3-methyl-5-[4-methyl-2-[3-(4-propan-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid

Systemtic Name: 3-methyl-5-[4-methyl-2-[3-(4-propan-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Openeye Name: 3-[2-[3-(4-isopropylphenyl)prop-2-ynoxy]-4-methyl-phenoxy]-5-methyl-benzoic acid CAS Name: 3-methyl-5-[4-methyl-2-[3-(4-propan-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid IUPAC Name: 3-methyl-5-[4-methyl-2-[3-(4-propan-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Traditional Name: 3-methyl-5-[4-methyl-2-(3-p-cumenylprop-2-ynoxy)phenoxy]benzoic acid Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC(=CC(=C2)C)C(=O)O)OCC#CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC(=CC(=C2)C)C(=O)O)OCC#CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C27H26O4/c1-18(2)22-10-8-21(9-11-22)6-5-13-30-26-16-19(3)7-12-25(26)31-24-15-20(4)14-23(17-24)27(28)29/h7-12,14-18H,13H2,1-4H3,(H,28,29)