2-Phthalimidyl-3-(3?-benzoxyphenyl)propionic Acid Methyl Ester - CAS 1076199-34-2
Catalog: |
BB058143 |
Product Name: |
2-Phthalimidyl-3-(3?-benzoxyphenyl)propionic Acid Methyl Ester |
CAS: |
1076199-34-2 |
Synonyms: |
2-Phthalimidyl-3-(3'-benzoxyphenyl)propionic Acid Methyl Ester; methyl 2-(1,3-dioxoisoindol-2-yl)-3-(3-phenylmethoxyphenyl)propanoate; Methyl 3-[3-(benzyloxy)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate; 2-Phthalimidyl-3-(3 inverted exclamation mark -benzoxyphenyl)propionic Acid Methyl Ester |
IUPAC Name: | methyl 2-(1,3-dioxoisoindol-2-yl)-3-(3-phenylmethoxyphenyl)propanoate |
Molecular Weight: | 415.44 |
Molecular Formula: | C25H21NO5 |
Canonical SMILES: | COC(=O)C(CC1=CC(=CC=C1)OCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O |
InChI: | InChI=1S/C25H21NO5/c1-30-25(29)22(26-23(27)20-12-5-6-13-21(20)24(26)28)15-18-10-7-11-19(14-18)31-16-17-8-3-2-4-9-17/h2-14,22H,15-16H2,1H3 |
InChI Key: | LRJVTZDDZXIDRS-UHFFFAOYSA-N |
Complexity: | 634 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 415.14197277 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 415.14197277 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 72.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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