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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2OCC(=O)O)C(=O)OC(C)C)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2OCC(=O)O)C(=O)OC(C)C)C(=O)C(=O)N

InChI

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