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Summary
Name:2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide
Formula:C20 H20 N2 O5
Formal charge:0
Formula weight:368.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[4-[[(2~{S})-1-ethanoyl-3-oxidanylidene-2~{H}-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H20N2O5/c1-12(23)22-15-6-4-3-5-14(15)20(25)16(22)9-13-7-8-17(18(10-13)26-2)27-11-19(21)24/h3-8,10,16H,9,11H2,1-2H3,(H2,21,24)/t16-/m0/s1
InChIKeyInChI1.06DUXGCVPXJWCVOO-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385COc1cc(C[C@@H]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O
SMILESCACTVS3.385COc1cc(C[CH]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1c2ccccc2C(=O)[C@@H]1Cc3ccc(c(c3)OC)OCC(=O)N
SMILESOpenEye OEToolkits2.0.7CC(=O)N1c2ccccc2C(=O)C1Cc3ccc(c(c3)OC)OCC(=O)N

223790

PDB entries from 2024-08-14

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