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

Systemtic Name: (phenylmethyl) 2-ethyl-3-(hexanoyloxymethyl)-4-(3-methylimidazol-4-yl)butanoate Openeye Name: benzyl 2-ethyl-3-(hexanoyloxymethyl)-4-(3-methylimidazol-4-yl)butanoate CAS Name: 2-ethyl-3-[(3-methyl-4-imidazolyl)methyl]-4-(1-oxohexoxy)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-ethyl-3-(hexanoyloxymethyl)-4-(3-methylimidazol-4-yl)butanoate Traditional Name: 3-(caproyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butyric acid benzyl ester Formula: C24H34N2O4 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O4/c1-4-6-8-13-23(27)29-17-20(14-21-15-25-18-26(21)3)22(5-2)24(28)30-16-19-11-9-7-10-12-19/h7,9-12,15,18,20,22H,4-6,8,13-14,16-17H2,1-3H3