bis[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl] pyridine-2,6-dicarboxylate Openeye Name: bis[[(5S)-3-phenyl-4,5-dihydroisoxazol-5-yl]methyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[[(5S)-3-phenyl-4,5-dihydroisoxazol-5-yl]methyl] ester IUPAC Name: bis[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis[[(5S)-3-phenyl-2-isoxazolin-5-yl]methyl] ester Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=CC=C2)COC(=O)C3=NC(=CC=C3)C(=O)OCC4CC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1[C@H](ON=C1C2=CC=CC=C2)COC(=O)C3=NC(=CC=C3)C(=O)OC[C@@H]4CC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O6/c31-26(33-16-20-14-24(29-35-20)18-8-3-1-4-9-18)22-12-7-13-23(28-22)27(32)34-17-21-15-25(30-36-21)19-10-5-2-6-11-19/h1-13,20-21H,14-17H2/t20-,21-/m0/s1