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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CNC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-28-21(27)17-9-7-16(8-10-17)12-22-19(25)14-29-20(26)13-23-18(24)11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,22,25)(H,23,24)