2-[3-methyl-5-[2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3-methyl-5-[2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]phenyl]ethanoic acid Openeye Name: 2-[3-methyl-5-[2-[3-(p-tolyl)prop-2-ynoxy]phenoxy]phenyl]acetic acid CAS Name: 2-[3-methyl-5-[2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]phenyl]acetic acid IUPAC Name: 2-[3-methyl-5-[2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]phenyl]acetic acid Traditional Name: 2-[3-methyl-5-[2-[3-(p-tolyl)prop-2-ynoxy]phenoxy]phenyl]acetic acid Formula: C25H22O4 MolecularWeight: 386.43978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CCOC2=CC=CC=C2OC3=CC(=CC(=C3)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CCOC2=CC=CC=C2OC3=CC(=CC(=C3)CC(=O)O)C

InChI

InChI=1S/C25H22O4/c1-18-9-11-20(12-10-18)6-5-13-28-23-7-3-4-8-24(23)29-22-15-19(2)14-21(16-22)17-25(26)27/h3-4,7-12,14-16H,13,17H2,1-2H3,(H,26,27)