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SSF

Summary
Name:2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid
Formula:C18 H16 N2 O4
Formal charge:0
Formula weight:324.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid
OpenEye OEToolkits1.7.22-azanyl-5-(1-methoxy-2-methyl-indolizin-3-yl)carbonyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1c(N)ccc(c1)C(=O)c2c(c(OC)c3ccccn23)C
SMILES_CANONICALCACTVS3.370COc1c(C)c(n2ccccc12)C(=O)c3ccc(N)c(c3)C(O)=O
SMILESCACTVS3.370COc1c(C)c(n2ccccc12)C(=O)c3ccc(N)c(c3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC
SMILESOpenEye OEToolkits1.7.2Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC
InChIInChI1.03InChI=1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23)
InChIKeyInChI1.03SNMCWIDCSPHZRD-UHFFFAOYSA-N

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PDB entries from 2024-07-10

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