(phenylmethyl) 3-(butanoyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate

Systemtic Name: (phenylmethyl) 3-(butanoyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate Openeye Name: benzyl 3-(butanoyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate CAS Name: 2-ethyl-3-[(3-methyl-4-imidazolyl)methyl]-4-(1-oxobutoxy)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(butanoyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate Traditional Name: 3-(butyryloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butyric acid benzyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CC1=CN=CN1C)C(CC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)OCC(CC1=CN=CN1C)C(CC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O4/c1-4-9-21(25)27-15-18(12-19-13-23-16-24(19)3)20(5-2)22(26)28-14-17-10-7-6-8-11-17/h6-8,10-11,13,16,18,20H,4-5,9,12,14-15H2,1-3H3