quinolin-8-yl (4S)-3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate

Systemtic Name: quinolin-8-yl (4S)-3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate Openeye Name: 8-quinolyl (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 8-quinolinyl ester IUPAC Name: quinolin-8-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 8-quinolyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)OC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(OC2=C1[C@H](CC(C2)(C)C)O)C(=O)OC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H21NO4/c1-12-17-14(23)10-21(2,3)11-16(17)25-19(12)20(24)26-15-8-4-6-13-7-5-9-22-18(13)15/h4-9,14,23H,10-11H2,1-3H3/t14-/m0/s1