methyl 4-[[3-(2-phenylethanoylamino)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2-phenylethanoylamino)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[(2-phenylacetyl)amino]propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-[(1-oxo-2-phenylethyl)amino]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-phenylacetyl)amino]propanoylamino]methyl]benzoate Traditional Name: 4-[[3-[(2-phenylacetyl)amino]propanoylamino]methyl]benzoic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-26-20(25)17-9-7-16(8-10-17)14-22-18(23)11-12-21-19(24)13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,24)(H,22,23)