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Substance Name: 3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester
RN: 57777-87-4
InChIKey: CRXKQTAKRMFZQG-MAGPJGKGSA-N

Molecular Formula

  • C46-H42-Cl-N4-O10-P

Molecular Weight

  • 877.2828
 
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Names and Synonyms

Synonym

  • EINECS 260-948-8

Systematic Name

  • 3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester

Registry Numbers

CAS Registry Number

  • 57777-87-4

System Generated Number

  • 0057777874

Structure Descriptors

InChI

1S/C46H42ClN4O10P/c1-55-37-20-14-34(15-21-37)46(33-12-7-4-8-13-33,35-16-22-38(56-2)23-17-35)57-31-41-40(61-62(54,58-29-9-27-48)60-39-24-18-36(47)19-25-39)30-43(59-41)51-28-26-42(50-45(51)53)49-44(52)32-10-5-3-6-11-32/h3-8,10-26,28,40-41,43H,9,29-31H2,1-2H3,(H,49,50,52,53)/t40-,41+,43+,62?/m0/s1

InChIKey

CRXKQTAKRMFZQG-MAGPJGKGSA-N

Smiles

COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H](C[C@@H](O4)n5ccc(nc5=O)NC(=O)c6ccccc6)OP(=O)(OCCC#N)Oc7ccc(cc7)Cl