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

Technical Data

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:	154Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4