2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-phenyl-propionic acid Formula: C30H29N3O6 MolecularWeight: 527.56776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)NC(CC4=CC=CC=C4)C(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)NC(CC4=CC=CC=C4)C(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C30H29N3O6/c1-2-22-27(28(35)29(31)36)26-23(33(22)17-20-12-7-4-8-13-20)14-9-15-24(26)39-18-25(34)32-21(30(37)38)16-19-10-5-3-6-11-19/h3-15,21H,2,16-18H2,1H3,(H2,31,36)(H,32,34)(H,37,38)