(2-methylquinolin-8-yl) (4E)-4-[(2-fluorophenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) (4E)-4-[(2-fluorophenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-methyl-8-quinolyl) (4E)-4-[(2-fluorobenzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[[(2-fluorophenyl)-oxomethyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) (4E)-4-[(2-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-[(2-fluorobenzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-methyl-8-quinolyl) ester Formula: C27H22FN3O4 MolecularWeight: 471.479683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CCCC4=NNC(=O)C5=CC=CC=C5F)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C\4=C(O3)CCC/C4=N\NC(=O)C5=CC=CC=C5F)C)C=C1

InChI

InChI=1S/C27H22FN3O4/c1-15-13-14-17-7-5-12-22(24(17)29-15)35-27(33)25-16(2)23-20(10-6-11-21(23)34-25)30-31-26(32)18-8-3-4-9-19(18)28/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,31,32)/b30-20+