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

Systemtic Name: 2-[6-cyclopropyloxycarbonyl-2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-6-(cyclopropoxycarbonyl)-2-ethyl-3-oxamoyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[6-[cyclopropyloxy(oxo)methyl]-2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-(1-benzyl-6-cyclopropyloxycarbonyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acid Traditional Name: 2-[1-benzyl-6-(cyclopropoxycarbonyl)-2-ethyl-3-oxamoyl-indol-4-yl]oxyacetic acid Formula: C25H24N2O7 MolecularWeight: 464.46726

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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)OC4CC4)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2OCC(=O)O)C(=O)OC4CC4)C(=O)C(=O)N

InChI

InChI=1S/C25H24N2O7/c1-2-17-22(23(30)24(26)31)21-18(27(17)12-14-6-4-3-5-7-14)10-15(25(32)34-16-8-9-16)11-19(21)33-13-20(28)29/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H2,26,31)(H,28,29)