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Substance Name: 4-Pentenoic acid, 4-cyano-5,5-bis(4-methoxyphenyl)-, ethyl ester
RN: 115499-63-3
InChIKey: LSHWPMDSSJFYMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N-O4

Molecular Weight

  • 365.4267
 
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Names and Synonyms

Synonym

  • Ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-4-pentenoate

Systematic Name

  • 4-Pentenoic acid, 4-cyano-5,5-bis(4-methoxyphenyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 115499-63-3

System Generated Number

  • 0115499633

Structure Descriptors

InChI

1S/C22H23NO4/c1-4-27-21(24)14-9-18(15-23)22(16-5-10-19(25-2)11-6-16)17-7-12-20(26-3)13-8-17/h5-8,10-13H,4,9,14H2,1-3H3

InChIKey

LSHWPMDSSJFYMX-UHFFFAOYSA-N

Smiles

CCOC(=O)CCC(=C(c1ccc(cc1)OC)c2ccc(cc2)OC)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4954523,