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67V

Summary
Name:methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate
Formula:C17 H16 N2 O2
Formal charge:0
Formula weight:280.321 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl 8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indole-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H16N2O2/c1-9-13(17(20)21-2)8-14-12-5-3-4-11(10-6-7-10)15(12)19-16(14)18-9/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)
InChIKeyInChI1.03PMYXVYACIJANSL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)c1cc2c([nH]c3c(cccc23)C4CC4)nc1C
SMILESCACTVS3.385COC(=O)c1cc2c([nH]c3c(cccc23)C4CC4)nc1C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC
SMILESOpenEye OEToolkits2.0.7Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC

221051

PDB entries from 2024-06-12

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