2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)-6-propoxycarbonyl-indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)-6-propoxycarbonyl-indol-4-yl]oxyethanoic acid Openeye Name: 2-(1-benzyl-2-ethyl-3-oxamoyl-6-propoxycarbonyl-indol-4-yl)oxyacetic acid CAS Name: 2-[[2-ethyl-3-oxamoyl-6-[oxo(propoxy)methyl]-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-(1-benzyl-2-ethyl-3-oxamoyl-6-propoxycarbonylindol-4-yl)oxyacetic acid Traditional Name: 2-(1-benzyl-2-ethyl-3-oxamoyl-6-propoxycarbonyl-indol-4-yl)oxyacetic acid Formula: C25H26N2O7 MolecularWeight: 466.48314

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C(=C1)OCC(=O)O)C(=C(N2CC3=CC=CC=C3)CC)C(=O)C(=O)N

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C(=C1)OCC(=O)O)C(=C(N2CC3=CC=CC=C3)CC)C(=O)C(=O)N

InChI

InChI=1S/C25H26N2O7/c1-3-10-33-25(32)16-11-18-21(19(12-16)34-14-20(28)29)22(23(30)24(26)31)17(4-2)27(18)13-15-8-6-5-7-9-15/h5-9,11-12H,3-4,10,13-14H2,1-2H3,(H2,26,31)(H,28,29)