65474-39-7
2-CARBOXYPHENYL-1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETATE
Name2-CARBOXYPHENYL-1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETATE
pro_formulaC26 H20 Cl N O6
1Identification
【Name】
2-CARBOXYPHENYL-1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETATE
【CAS】
【MDL】
MFCD01719330
【EnglishSynonyms】
【pro_formula】
C26 H20 Cl N O6
【pro_molWeight】
477.898
【Inchi】
InChI=1S/C26H20ClNO6/c1-15-20(14-24(29)34-23-6-4-3-5-19(23)26(31)32)21-13-18(33-2)11-12-22(21)28(15)25(30)16-7-9-17(27)10-8-16/h3-13H,14H2,1-2H3,(H,31,32)
【InChIKey】
InChIKey=ZMVHVVYABPAONG-UHFFFAOYSA-N
【SMILES】
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)Oc4ccccc4C(=O)O
【MOL File】
2-CARBOXYPHENYL-1-(4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-CARBOXYPHENYL-1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETATE.cml