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

Systemtic Name: methyl 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-methyl-valeric acid methyl ester Formula: C28H33N3O6 MolecularWeight: 507.57812

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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)CC)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)CC)C(=O)OC)C(=O)C(=O)N

InChI

InChI=1S/C28H33N3O6/c1-5-17(3)25(28(35)36-4)30-22(32)16-37-21-14-10-13-20-23(21)24(26(33)27(29)34)19(6-2)31(20)15-18-11-8-7-9-12-18/h7-14,17,25H,5-6,15-16H2,1-4H3,(H2,29,34)(H,30,32)