(phenylmethyl) 2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-(2-phenylethanoyloxy)butanoate

Systemtic Name: (phenylmethyl) 2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-(2-phenylethanoyloxy)butanoate Openeye Name: benzyl 2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-(2-phenylacetyl)oxy-butanoate CAS Name: 2-ethyl-3-[(3-methyl-4-imidazolyl)methyl]-4-(1-oxo-2-phenylethoxy)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-(2-phenylacetyl)oxybutanoate Traditional Name: 2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-(2-phenylacetyl)oxy-butyric acid benzyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=CN=CN1C)COC(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C(CC1=CN=CN1C)COC(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O4/c1-3-24(26(30)32-17-21-12-8-5-9-13-21)22(15-23-16-27-19-28(23)2)18-31-25(29)14-20-10-6-4-7-11-20/h4-13,16,19,22,24H,3,14-15,17-18H2,1-2H3