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M38

Summary
Name:4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE
Formula:C20 H15 N O4
Formal charge:0
Formula weight:333.337 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(5,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinolin-6-yl)butanoic acid
OpenEye OEToolkits1.5.04-(5,11-dioxoindeno[3,2-c]isoquinolin-6-yl)butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c4c(C2=C1c3c(C(=O)N2CCCC(=O)O)cccc3)cccc4
SMILES_CANONICALCACTVS3.341OC(=O)CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O
SMILESCACTVS3.341OC(=O)CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)C3=C(c4ccccc4C3=O)N(C2=O)CCCC(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C3=C(c4ccccc4C3=O)N(C2=O)CCCC(=O)O
InChIInChI1.03InChI=1S/C20H15NO4/c22-16(23)10-5-11-21-18-13-7-2-3-8-14(13)19(24)17(18)12-6-1-4-9-15(12)20(21)25/h1-4,6-9H,5,10-11H2,(H,22,23)
InChIKeyInChI1.03AHIJTWCJGCWHMT-UHFFFAOYSA-N

222415

数据于2024-07-10公开中

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