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

Systemtic Name: quinolin-8-yl (4E)-3-methyl-4-[(4-methylphenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: 8-quinolyl (4E)-3-methyl-4-[(4-methylbenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[(4-methylphenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl (4E)-3-methyl-4-[(4-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(p-toluoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid 8-quinolyl ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN=C2CCCC3=C2C(=C(O3)C(=O)OC4=CC=CC5=C4N=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/N=C/2\CCCC3=C2C(=C(O3)C(=O)OC4=CC=CC5=C4N=CC=C5)C

InChI

InChI=1S/C27H23N3O4/c1-16-11-13-19(14-12-16)26(31)30-29-20-8-4-9-21-23(20)17(2)25(33-21)27(32)34-22-10-3-6-18-7-5-15-28-24(18)22/h3,5-7,10-15H,4,8-9H2,1-2H3,(H,30,31)/b29-20+