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

Systemtic Name: 2-[6-cyclopropyloxycarbonyl-2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-benzyl-6-(cyclopropoxycarbonyl)-2-ethyl-3-oxamoyl-indol-4-yl]-2-oxo-acetic acid CAS Name: 2-[6-[cyclopropyloxy(oxo)methyl]-2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]-2-oxoacetic acid IUPAC Name: 2-(1-benzyl-6-cyclopropyloxycarbonyl-2-ethyl-3-oxamoylindol-4-yl)-2-oxoacetic acid Traditional Name: 2-[1-benzyl-6-(cyclopropoxycarbonyl)-2-ethyl-3-oxamoyl-indol-4-yl]-2-keto-acetic acid Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2N1CC3=CC=CC=C3)C(=O)OC4CC4)C(=O)C(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2N1CC3=CC=CC=C3)C(=O)OC4CC4)C(=O)C(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C25H22N2O7/c1-2-17-20(22(29)23(26)30)19-16(21(28)24(31)32)10-14(25(33)34-15-8-9-15)11-18(19)27(17)12-13-6-4-3-5-7-13/h3-7,10-11,15H,2,8-9,12H2,1H3,(H2,26,30)(H,31,32)