5-(2-Cyanopropenyl)-5'-methyl-bis-(2-aminophenoxymethylene)-N,N,N',N'-tetraacetate Methyl Ester - CAS 1076199-89-7
Catalog: |
BB069024 |
Product Name: |
5-(2-Cyanopropenyl)-5'-methyl-bis-(2-aminophenoxymethylene)-N,N,N',N'-tetraacetate Methyl Ester |
CAS: |
1076199-89-7 |
Synonyms: |
N-[2-[2-[2-[Bis(2-methoxy-2-oxoethyl)amino]-6-(2-cyanoethenyl)phenoxy]ethoxy]-4-methylphenyl]-N-(2-methoxy-2-oxoethyl)glycine Methyl Ester |
IUPAC Name: | methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-6-[(E)-2-cyanoethenyl]phenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-methylanilino]acetate |
Description: | 5-(2-Cyanopropenyl)-5'-methyl-bis-(2-aminophenoxymethylene)-N,N,N',N'-tetraacetate Methyl Ester (cas# 1076199-89-7) is a compound useful in organic synthesis. |
Molecular Weight: | 597.61 |
Molecular Formula: | C30H35N3O10 |
Canonical SMILES: | CC1=CC(=C(C=C1)N(CC(=O)OC)CC(=O)OC)OCCOC2=C(C=CC=C2N(CC(=O)OC)CC(=O)OC)C=CC#N |
InChI: | InChI=1S/C30H35N3O10/c1-21-11-12-23(32(17-26(34)38-2)18-27(35)39-3)25(16-21)42-14-15-43-30-22(9-7-13-31)8-6-10-24(30)33(19-28(36)40-4)20-29(37)41-5/h6-12,16H,14-15,17-20H2,1-5H3/b9-7+ |
InChI Key: | WNVQGHWLSLESOC-VQHVLOKHSA-N |
Solubility: | Chloroform |
Appearance: | Yellow Crystalline Solid |
Complexity: | 960 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 597.23224432 |
Formal Charge: | 0 |
Heavy Atom Count: | 43 |
Hydrogen Bond Acceptor Count: | 13 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 597.23224432 |
Rotatable Bond Count: | 20 |
Topological Polar Surface Area: | 154Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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