methyl 2-[2-oxidanyl-3-[2-(2-phenylethanoylamino)ethylamino]propoxy]benzoate

Systemtic Name: methyl 2-[2-oxidanyl-3-[2-(2-phenylethanoylamino)ethylamino]propoxy]benzoate Openeye Name: methyl 2-[2-hydroxy-3-[2-[(2-phenylacetyl)amino]ethylamino]propoxy]benzoate CAS Name: 2-[2-hydroxy-3-[2-[(1-oxo-2-phenylethyl)amino]ethylamino]propoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[2-hydroxy-3-[2-[(2-phenylacetyl)amino]ethylamino]propoxy]benzoate Traditional Name: 2-[2-hydroxy-3-[2-[(2-phenylacetyl)amino]ethylamino]propoxy]benzoic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OCC(CNCCNC(=O)CC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1OCC(CNCCNC(=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C21H26N2O5/c1-27-21(26)18-9-5-6-10-19(18)28-15-17(24)14-22-11-12-23-20(25)13-16-7-3-2-4-8-16/h2-10,17,22,24H,11-15H2,1H3,(H,23,25)