(4-methylphenyl)methyl 3-(butanoyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate

Systemtic Name: (4-methylphenyl)methyl 3-(butanoyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate Openeye Name: p-tolylmethyl 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 (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3-(butanoyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate Traditional Name: 3-(butyryloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butyric acid (4-methylbenzyl) ester Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O4/c1-5-7-22(26)28-15-19(12-20-13-24-16-25(20)4)21(6-2)23(27)29-14-18-10-8-17(3)9-11-18/h8-11,13,16,19,21H,5-7,12,14-15H2,1-4H3