(5-methyl-1,2-oxazol-3-yl)methyl (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: (5-methylisoxazol-3-yl)methyl (3S)-1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl (3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: (3S)-1-keto-3-phenyl-isochroman-6-carboxylic acid (5-methylisoxazol-3-yl)methyl ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17NO5/c1-13-9-17(22-27-13)12-25-20(23)15-7-8-18-16(10-15)11-19(26-21(18)24)14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3/t19-/m0/s1