[5-(4-acetamido-2-oxidanylidene-pyridin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-acetamido-2-oxidanylidene-pyridin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(4-acetamido-2-oxo-1-pyridyl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-acetamido-2-oxo-1-pyridinyl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-acetamido-2-oxopyridin-1-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-acetamido-2-keto-1-pyridyl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C33H28N2O9 MolecularWeight: 596.58342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=O)N(C=C1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC(=O)N(C=C1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H28N2O9/c1-21(36)34-25-17-18-35(27(37)19-25)30-29(44-33(40)24-15-9-4-10-16-24)28(43-32(39)23-13-7-3-8-14-23)26(42-30)20-41-31(38)22-11-5-2-6-12-22/h2-19,26,28-30H,20H2,1H3,(H,34,36)