Substance
  • Substance Name: sumicidin
  • Formula: C25H22ClNO3
  • Molecular Weight: 419.9 g/mol
  • Identifiers:
    • casrn: 51630-58-1
    • pubchemId: 3347
    • iupacname: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate
    • inchi: InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
    • inchikey: NYPJDWWKZLNGGM-UHFFFAOYSA-N
    • csmiles: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
    • ismiles: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
    • wikidataId: Q412010
    • chemspiderId: 3230
    • dsstoxcmpId: DTXCID30621
    • chemblId: CHEMBL492491
    • ecnumber: 257-326-3
sumicidin
Systems and Datasets