2-(2-methyl-1-octyl-3-oxamoyl-indol-4-yl)oxyethanoic acid

Systemtic Name: 2-(2-methyl-1-octyl-3-oxamoyl-indol-4-yl)oxyethanoic acid Openeye Name: 2-(2-methyl-1-octyl-3-oxamoyl-indol-4-yl)oxyacetic acid CAS Name: 2-[(2-methyl-1-octyl-3-oxamoyl-4-indolyl)oxy]acetic acid IUPAC Name: 2-(2-methyl-1-octyl-3-oxamoylindol-4-yl)oxyacetic acid Traditional Name: 2-(2-methyl-1-octyl-3-oxamoyl-indol-4-yl)oxyacetic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=C1C=CC=C2OCC(=O)O)C(=O)C(=O)N)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=C1C=CC=C2OCC(=O)O)C(=O)C(=O)N)C

InChI

InChI=1S/C21H28N2O5/c1-3-4-5-6-7-8-12-23-14(2)18(20(26)21(22)27)19-15(23)10-9-11-16(19)28-13-17(24)25/h9-11H,3-8,12-13H2,1-2H3,(H2,22,27)(H,24,25)