Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

R63

Summary
Name:methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Formula:C17 H18 N2 O4
Formal charge:0
Formula weight:314.336 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
OpenEye OEToolkits2.0.7methyl 4-ethyl-6,7-dimethoxy-9~{H}-pyrido[3,4-b]indole-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)c1ncc2[NH]c3cc(OC)c(OC)cc3c2c1CC
InChIInChI1.06InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
InChIKeyInChI1.06GADIKQPUNWAMEB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
SMILESCACTVS3.385CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCc1c2c3cc(c(cc3[nH]c2cnc1C(=O)OC)OC)OC
SMILESOpenEye OEToolkits2.0.7CCc1c2c3cc(c(cc3[nH]c2cnc1C(=O)OC)OC)OC

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon