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CHEBI:107940 - 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester

ChEBI IDCHEBI:107940
ChEBI Name3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester
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FormulaC25H20N2O4
Net Charge0
Average Mass412.445
Monoisotopic Mass412.14231
SMILESCc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)oc2c1ccc1ccccc12
InChIInChI=1S/C25H20N2O4/c1-17-20-13-12-18-8-5-6-11-21(18)24(20)31-23(17)25(29)30-16-22(28)27(15-7-14-26)19-9-3-2-4-10-19/h2-6,8-13H,7,15-16H2,1H3
InChIKeyCTYJZSIPFIWHBS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester (CHEBI:107940) is a naphthofuran (CHEBI:39270)
Manual XrefsDatabases
LSM-19317LINCS