(4-chloranyl-3,5-dimethyl-phenyl) (4E)-4-(2,2-diphenylethanoylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) (4E)-4-(2,2-diphenylethanoylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) (4E)-4-[(2,2-diphenylacetyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[(1-oxo-2,2-diphenylethyl)hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) (4E)-4-[(2,2-diphenylacetyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-[(2,2-diphenylacetyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C32H29ClN2O4 MolecularWeight: 541.03666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C32H29ClN2O4/c1-19-17-24(18-20(2)29(19)33)38-32(37)30-21(3)27-25(15-10-16-26(27)39-30)34-35-31(36)28(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,17-18,28H,10,15-16H2,1-3H3,(H,35,36)/b34-25+