methyl 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-methyl-butyric acid methyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O6/c1-5-18-23(25(32)26(28)33)22-19(30(18)14-17-10-7-6-8-11-17)12-9-13-20(22)36-15-21(31)29-24(16(2)3)27(34)35-4/h6-13,16,24H,5,14-15H2,1-4H3,(H2,28,33)(H,29,31)