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CHEBI:115602 - 4-morpholinecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2,6-dimethoxyphenyl] ester

ChEBI IDCHEBI:115602
ChEBI Name4-morpholinecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2,6-dimethoxyphenyl] ester
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DownloadsMolfile
FormulaC23H25N3O7
Net Charge0
Average Mass455.467
Monoisotopic Mass455.16925
SMILESCOc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC(=O)N1CCOCC1
InChIInChI=1S/C23H25N3O7/c1-29-17-10-13(11-18(30-2)21(17)33-23(28)26-6-8-31-9-7-26)19-14(12-24)22(25)32-16-5-3-4-15(27)20(16)19/h10-11,19H,3-9,25H2,1-2H3
InChIKeyWIKGFSQXRKPATH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-morpholinecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2,6-dimethoxyphenyl] ester (CHEBI:115602) is a dimethoxybenzene (CHEBI:51681)
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