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CHEBI:93789 - 2-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid

ChEBI IDCHEBI:93789
ChEBI Name2-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
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FormulaC24H20ClNO4
Net Charge0
Average Mass421.880
Monoisotopic Mass421.10809
SMILESCOc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClNO4/c1-30-18-12-8-16(9-13-18)22-21(24(28)29)19-4-2-3-5-20(19)23(27)26(22)14-15-6-10-17(25)11-7-15/h2-13,21-22H,14H2,1H3,(H,28,29)
InChIKeyWJQMZXHQQRBUBD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid (CHEBI:93789) is a isoquinolines (CHEBI:24922)
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LSM-4303LINCS