(5S)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: (5S)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: (5S)-3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: (5S)-3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxazole-5-carboxylate IUPAC Name: (5S)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: (5S)-3-(3,4-dimethoxyphenyl)-2-isoxazoline-5-carboxylate Formula: C12H12NO5- MolecularWeight: 250.22738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NO[C@@H](C2)C(=O)[O-])OC

InChI

InChI=1S/C12H13NO5/c1-16-9-4-3-7(5-10(9)17-2)8-6-11(12(14)15)18-13-8/h3-5,11H,6H2,1-2H3,(H,14,15)/p-1/t11-/m0/s1