dimethyl 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]butanedioate

Systemtic Name: dimethyl 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]butanedioate Openeye Name: dimethyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]butanedioate CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]butanedioate Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]succinic acid dimethyl ester Formula: C27H29N3O8 MolecularWeight: 523.53446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O8/c1-4-18-24(25(33)26(28)34)23-19(30(18)14-16-9-6-5-7-10-16)11-8-12-20(23)38-15-21(31)29-17(27(35)37-3)13-22(32)36-2/h5-12,17H,4,13-15H2,1-3H3,(H2,28,34)(H,29,31)