Name: Name:1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chloro-7-Methoxy-2-quinoxalinyl)oxy]-, 1-(1,1-diMethylethyl) 2-Methyl ester,(2S,4R)-
Brand: Angene
SKU: AG008TAI
Rating: 90 (10 reviews)

1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chloro-7-Methoxy-2-quinoxalinyl)oxy]-, 1-(1,1-diMethylethyl) 2-Methyl ester,(2S,4R)-

CAS No.:

1206524-79-9

Catalog Number:

AG008TAI

Molecular Formula:

C20H24ClN3O6

Molecular Weight:

437.8741

Catalog Number:

AG008TAI

Chemical Name:

1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chloro-7-Methoxy-2-quinoxalinyl)oxy]-, 1-(1,1-diMethylethyl) 2-Methyl ester,(2S,4R)-

CAS Number:

1206524-79-9

Molecular Formula:

C20H24ClN3O6

Molecular Weight:

437.8741

MDL Number:

MFCD26961025

IUPAC Name:

1-O-tert-butyl 2-O-methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylate

InChI:

InChI=1S/C20H24ClN3O6/c1-20(2,3)30-19(26)24-10-12(9-15(24)18(25)28-5)29-17-16(21)22-13-7-6-11(27-4)8-14(13)23-17/h6-8,12,15H,9-10H2,1-5H3/t12-,15+/m1/s1

InChI Key:

ZYJYPPYJVAFFOX-DOMZBBRYSA-N

SMILES:

COC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl

Complexity:

630

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

437.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

437.877g/mol

Monoisotopic Mass:

437.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

100A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5