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

Systemtic Name: quinolin-8-yl 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: 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 8-quinolinyl ester IUPAC Name: quinolin-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 8-quinolyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4/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/h4-9H,10-11H2,1-3H3