(phenylmethyl) (2S,3R)-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-pentanoyloxy-butanoate

Systemtic Name: (phenylmethyl) (2S,3R)-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-pentanoyloxy-butanoate Openeye Name: benzyl (2S,3R)-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-pentanoyloxy-butanoate CAS Name: (2S,3R)-2-ethyl-3-[(3-methyl-4-imidazolyl)methyl]-4-(1-oxopentoxy)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-pentanoyloxybutanoate Traditional Name: (2S,3R)-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-valeryloxy-butyric acid benzyl ester Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(=O)OC[C@H](CC1=CN=CN1C)[C@H](CC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H32N2O4/c1-4-6-12-22(26)28-16-19(13-20-14-24-17-25(20)3)21(5-2)23(27)29-15-18-10-8-7-9-11-18/h7-11,14,17,19,21H,4-6,12-13,15-16H2,1-3H3/t19-,21-/m0/s1