pyridin-3-yl (4S)-3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate

Systemtic Name: pyridin-3-yl (4S)-3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate Openeye Name: 3-pyridyl (4S)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carboxylate CAS Name: (4S)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl (4S)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate Traditional Name: (4S)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carboxylic acid 3-pyridyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)OC3=CN=CC=C3

Isomeric SMILES

CC1=C(OC2=C1[C@H](CC(C2)(C)C)O)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C17H19NO4/c1-10-14-12(19)7-17(2,3)8-13(14)22-15(10)16(20)21-11-5-4-6-18-9-11/h4-6,9,12,19H,7-8H2,1-3H3/t12-/m0/s1