[5-acetamido-2-oxidanyl-6-oxidanylidene-4-(phenylcarbonyloxy)hexan-3-yl] benzoate

Systemtic Name: [5-acetamido-2-oxidanyl-6-oxidanylidene-4-(phenylcarbonyloxy)hexan-3-yl] benzoate Openeye Name: [3-acetamido-2-benzoyloxy-1-(1-hydroxyethyl)-4-oxo-butyl] benzoate CAS Name: benzoic acid (5-acetamido-4-benzoyloxy-2-hydroxy-6-oxohexan-3-yl) ester IUPAC Name: (5-acetamido-4-benzoyloxy-2-hydroxy-6-oxohexan-3-yl) benzoate Traditional Name: benzoic acid [3-acetamido-2-benzoyloxy-1-(1-hydroxyethyl)-4-keto-butyl] ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(C=O)NC(=O)C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C(C(C(C=O)NC(=O)C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C22H23NO7/c1-14(25)19(29-21(27)16-9-5-3-6-10-16)20(18(13-24)23-15(2)26)30-22(28)17-11-7-4-8-12-17/h3-14,18-20,25H,1-2H3,(H,23,26)