3-[3-bromanyl-4-[(Z)-5-(2,4-diethoxyphenyl)-3-methyl-pent-2-en-4-ynoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[3-bromanyl-4-[(Z)-5-(2,4-diethoxyphenyl)-3-methyl-pent-2-en-4-ynoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[3-bromo-4-[(Z)-5-(2,4-diethoxyphenyl)-3-methyl-pent-2-en-4-ynoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[3-bromo-4-[(Z)-5-(2,4-diethoxyphenyl)-3-methylpent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[3-bromo-4-[(Z)-5-(2,4-diethoxyphenyl)-3-methylpent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[3-bromo-4-[(Z)-5-(2,4-diethoxyphenyl)-3-methyl-pent-2-en-4-ynoxy]phenyl]-2-ethoxy-propionic acid Formula: C27H31BrO6 MolecularWeight: 531.43544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C#CC(=CCOC2=C(C=C(C=C2)CC(C(=O)O)OCC)Br)C)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C#C/C(=C\COC2=C(C=C(C=C2)CC(C(=O)O)OCC)Br)/C)OCC

InChI

InChI=1S/C27H31BrO6/c1-5-31-22-12-11-21(25(18-22)32-6-2)10-8-19(4)14-15-34-24-13-9-20(16-23(24)28)17-26(27(29)30)33-7-3/h9,11-14,16,18,26H,5-7,15,17H2,1-4H3,(H,29,30)/b19-14-