methyl 4-methyl-3-[2-[2-(2-phenylethanoylamino)ethanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[2-(2-phenylethanoylamino)ethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[2-[(2-phenylacetyl)amino]acetyl]oxyacetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[1-oxo-2-[(1-oxo-2-phenylethyl)amino]ethoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[2-[(2-phenylacetyl)amino]acetyl]oxyacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[2-[(2-phenylacetyl)amino]acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-14-8-9-16(21(27)28-2)11-17(14)23-19(25)13-29-20(26)12-22-18(24)10-15-6-4-3-5-7-15/h3-9,11H,10,12-13H2,1-2H3,(H,22,24)(H,23,25)