2-[(2-bromanyl-4-methoxy-5-propan-2-yloxy-phenyl)methyl]-2-[2-(4-propan-2-yloxyphenyl)ethyl]propanedioic acid

Systemtic Name: 2-[(2-bromanyl-4-methoxy-5-propan-2-yloxy-phenyl)methyl]-2-[2-(4-propan-2-yloxyphenyl)ethyl]propanedioic acid Openeye Name: 2-[(2-bromo-5-isopropoxy-4-methoxy-phenyl)methyl]-2-[2-(4-isopropoxyphenyl)ethyl]propanedioic acid CAS Name: 2-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]-2-[2-(4-propan-2-yloxyphenyl)ethyl]propanedioic acid IUPAC Name: 2-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]-2-[2-(4-propan-2-yloxyphenyl)ethyl]propanedioic acid Traditional Name: 2-(2-bromo-5-isopropoxy-4-methoxy-benzyl)-2-[2-(4-isopropoxyphenyl)ethyl]malonic acid Formula: C25H31BrO7 MolecularWeight: 523.41344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCC(CC2=CC(=C(C=C2Br)OC)OC(C)C)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCC(CC2=CC(=C(C=C2Br)OC)OC(C)C)(C(=O)O)C(=O)O

InChI

InChI=1S/C25H31BrO7/c1-15(2)32-19-8-6-17(7-9-19)10-11-25(23(27)28,24(29)30)14-18-12-22(33-16(3)4)21(31-5)13-20(18)26/h6-9,12-13,15-16H,10-11,14H2,1-5H3,(H,27,28)(H,29,30)