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Summary

Name:(1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:C22 H24 N2 O3
Formal charge:0
Molecular weight:364.438 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
OpenEye OEToolkits2.0.6(1~{S})-1-[2-(1~{H}-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinoline-2-carbaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3cccc4
InChIInChI1.03InChI=1S/C22H24N2O3/c1-26-21-11-15-9-10-24(14-25)20(18(15)12-22(21)27-2)8-7-16-13-23-19-6-4-3-5-17(16)19/h3-6,11-14,20,23H,7-10H2,1-2H3/t20-/m0/s1
InChIKeyInChI1.03PIORUUQSJASDET-FQEVSTJZSA-N
SMILES_CANONICALCACTVS3.385COc1cc2CCN(C=O)[C@@H](CCc3c[nH]c4ccccc34)c2cc1OC
SMILESCACTVS3.385COc1cc2CCN(C=O)[CH](CCc3c[nH]c4ccccc34)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4
SMILESOpenEye OEToolkits2.0.6COc1cc2c(cc1OC)C(N(CC2)C=O)CCc3c[nH]c4c3cccc4