2-[5-bromanyl-2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-bromanyl-2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-(1-benzyl-5-bromo-2-methyl-3-oxamoyl-indol-4-yl)oxyacetic acid CAS Name: 2-[[5-bromo-2-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-(1-benzyl-5-bromo-2-methyl-3-oxamoylindol-4-yl)oxyacetic acid Traditional Name: 2-(1-benzyl-5-bromo-2-methyl-3-oxamoyl-indol-4-yl)oxyacetic acid Formula: C20H17BrN2O5 MolecularWeight: 445.26338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2OCC(=O)O)Br)C(=O)C(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2OCC(=O)O)Br)C(=O)C(=O)N

InChI

InChI=1S/C20H17BrN2O5/c1-11-16(18(26)20(22)27)17-14(23(11)9-12-5-3-2-4-6-12)8-7-13(21)19(17)28-10-15(24)25/h2-8H,9-10H2,1H3,(H2,22,27)(H,24,25)