2-[4-[(Z)-3-(4-bromophenyl)-5-pyridin-2-yl-pent-2-en-4-ynoxy]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(Z)-3-(4-bromophenyl)-5-pyridin-2-yl-pent-2-en-4-ynoxy]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(Z)-3-(4-bromophenyl)-5-(2-pyridyl)pent-2-en-4-ynoxy]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[(Z)-3-(4-bromophenyl)-5-(2-pyridinyl)pent-2-en-4-ynoxy]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(Z)-3-(4-bromophenyl)-5-pyridin-2-ylpent-2-en-4-ynoxy]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[(Z)-3-(4-bromophenyl)-5-(2-pyridyl)pent-2-en-4-ynoxy]-2-methyl-phenoxy]acetic acid Formula: C25H20BrNO4 MolecularWeight: 478.3346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC=C(C#CC2=CC=CC=N2)C3=CC=C(C=C3)Br)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC/C=C(\C#CC2=CC=CC=N2)/C3=CC=C(C=C3)Br)OCC(=O)O

InChI

InChI=1S/C25H20BrNO4/c1-18-16-23(11-12-24(18)31-17-25(28)29)30-15-13-20(19-5-8-21(26)9-6-19)7-10-22-4-2-3-14-27-22/h2-6,8-9,11-14,16H,15,17H2,1H3,(H,28,29)/b20-13+