(2-methylquinolin-8-yl) 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: (2-methyl-8-quinolyl) 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid (2-methyl-8-quinolyl) ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CC(CC4=O)(C)C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CC(CC4=O)(C)C)C)C=C1

InChI

InChI=1S/C22H21NO4/c1-12-8-9-14-6-5-7-16(19(14)23-12)27-21(25)20-13(2)18-15(24)10-22(3,4)11-17(18)26-20/h5-9H,10-11H2,1-4H3