[(2R,3S)-1-ethoxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-2-oxidanyl-1-oxidanylidene-hexan-3-yl] benzoate

Systemtic Name: [(2R,3S)-1-ethoxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-2-oxidanyl-1-oxidanylidene-hexan-3-yl] benzoate Openeye Name: [(1S)-1-[(1R)-2-ethoxy-1-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-3-methyl-butyl] benzoate CAS Name: benzoic acid [(2R,3S)-1-ethoxy-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-1-oxohexan-3-yl] ester IUPAC Name: [(2R,3S)-1-ethoxy-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-1-oxohexan-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1R)-2-ethoxy-1-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-3-methyl-butyl] ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CN1)(C(CC(C)C)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)[C@@](CC1=CN=CN1)([C@H](CC(C)C)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C20H26N2O5/c1-4-26-19(24)20(25,11-16-12-21-13-22-16)17(10-14(2)3)27-18(23)15-8-6-5-7-9-15/h5-9,12-14,17,25H,4,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1