(phenylmethyl) (2S)-2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxypropanoate

Systemtic Name: (phenylmethyl) (2S)-2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxypropanoate Openeye Name: benzyl (2S)-2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxypropanoate CAS Name: (2S)-2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxypropanoate Traditional Name: (2S)-2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxypropionic acid benzyl ester Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C)C(=O)OCC4=CC=CC=C4)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2O[C@@H](C)C(=O)OCC4=CC=CC=C4)C(=O)C(=O)N

InChI

InChI=1S/C29H28N2O5/c1-3-22-26(27(32)28(30)33)25-23(31(22)17-20-11-6-4-7-12-20)15-10-16-24(25)36-19(2)29(34)35-18-21-13-8-5-9-14-21/h4-16,19H,3,17-18H2,1-2H3,(H2,30,33)/t19-/m0/s1