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

Systemtic Name: (2-methylquinolin-8-yl) (4Z)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: (2-methyl-8-quinolyl) (4Z)-3,6,6-trimethyl-4-(phenylhydrazono)-5,7-dihydrobenzofuran-2-carboxylate CAS Name: (4Z)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydrobenzofuran-2-carboxylic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) (4Z)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: (4Z)-3,6,6-trimethyl-4-(phenylhydrazono)-5,7-dihydrobenzofuran-2-carboxylic acid (2-methyl-8-quinolyl) ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CC(CC4=NNC5=CC=CC=C5)(C)C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C\4=C(O3)CC(C/C4=N/NC5=CC=CC=C5)(C)C)C)C=C1

InChI

InChI=1S/C28H27N3O3/c1-17-13-14-19-9-8-12-22(25(19)29-17)34-27(32)26-18(2)24-21(15-28(3,4)16-23(24)33-26)31-30-20-10-6-5-7-11-20/h5-14,30H,15-16H2,1-4H3/b31-21-