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

Systemtic Name: 3-[2-[3-(4-methoxyphenyl)prop-2-ynoxy]-4-methyl-phenoxy]-5-methyl-benzoic acid Openeye Name: 3-[2-[3-(4-methoxyphenyl)prop-2-ynoxy]-4-methyl-phenoxy]-5-methyl-benzoic acid CAS Name: 3-[2-[3-(4-methoxyphenyl)prop-2-ynoxy]-4-methylphenoxy]-5-methylbenzoic acid IUPAC Name: 3-[2-[3-(4-methoxyphenyl)prop-2-ynoxy]-4-methylphenoxy]-5-methylbenzoic acid Traditional Name: 3-[2-[3-(4-methoxyphenyl)prop-2-ynoxy]-4-methyl-phenoxy]-5-methyl-benzoic acid Formula: C25H22O5 MolecularWeight: 402.43918

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H22O5/c1-17-6-11-23(30-22-14-18(2)13-20(16-22)25(26)27)24(15-17)29-12-4-5-19-7-9-21(28-3)10-8-19/h6-11,13-16H,12H2,1-3H3,(H,26,27)