(6-chloranylpyridin-3-yl)methyl (2S)-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl (2S)-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl (2S)-7-methoxy-2-methyl-2,3-dihydrobenzofuran-5-carboxylate CAS Name: (2S)-7-methoxy-2-methyl-2,3-dihydrobenzofuran-5-carboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl (2S)-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: (2S)-7-methoxy-2-methyl-coumaran-5-carboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC(=C2)C(=O)OCC3=CN=C(C=C3)Cl)OC

Isomeric SMILES

C[C@H]1CC2=C(O1)C(=CC(=C2)C(=O)OCC3=CN=C(C=C3)Cl)OC

InChI

InChI=1S/C17H16ClNO4/c1-10-5-12-6-13(7-14(21-2)16(12)23-10)17(20)22-9-11-3-4-15(18)19-8-11/h3-4,6-8,10H,5,9H2,1-2H3/t10-/m0/s1