(5-phenyl-1,2-oxazol-3-yl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (5-phenylisoxazol-3-yl)methyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C20H16ClNO4 MolecularWeight: 369.79834

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H16ClNO4/c21-16-6-7-18-14(9-16)8-15(11-24-18)20(23)25-12-17-10-19(26-22-17)13-4-2-1-3-5-13/h1-7,9-10,15H,8,11-12H2/t15-/m0/s1