2-Methyl-2-phthalimidyl-3-(3?-benzoxyphenyl)propionic Acid Methyl Ester - CAS 1076198-56-5
Catalog: |
BB076061 |
Product Name: |
2-Methyl-2-phthalimidyl-3-(3?-benzoxyphenyl)propionic Acid Methyl Ester |
CAS: |
1076198-56-5 |
Synonyms: |
2-Methyl-2-phthalimidyl-3-(3'-benzoxyphenyl)propionic Acid Methyl Ester; methyl 2-(1,3-dioxoisoindol-2-yl)-2-methyl-3-(3-phenylmethoxyphenyl)propanoate; Methyl 3-[3-(benzyloxy)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-methylpropanoate; 2-Methyl-2-phthalimidyl-3-(3 inverted exclamation mark -benzoxyphenyl)propionic Acid Methyl Ester |
IUPAC Name: | methyl 2-(1,3-dioxoisoindol-2-yl)-2-methyl-3-(3-phenylmethoxyphenyl)propanoate |
Molecular Weight: | 429.46 |
Molecular Formula: | C26H23NO5 |
Canonical SMILES: | CC(CC1=CC(=CC=C1)OCC2=CC=CC=C2)(C(=O)OC)N3C(=O)C4=CC=CC=C4C3=O |
InChI: | InChI=1S/C26H23NO5/c1-26(25(30)31-2,27-23(28)21-13-6-7-14-22(21)24(27)29)16-19-11-8-12-20(15-19)32-17-18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3 |
InChI Key: | FFVSOGRKDYQJKA-UHFFFAOYSA-N |
Complexity: | 678 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 429.15762283 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 429.15762283 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 72.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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