(5-methyl-2-propan-2-yl-phenyl) (4E)-4-[(4-chlorophenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (4E)-4-[(4-chlorophenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (4E)-4-[(4-chlorobenzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[[(4-chlorophenyl)-oxomethyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (4E)-4-[(4-chlorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-[(4-chlorobenzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C27H27ClN2O4 MolecularWeight: 478.96728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H27ClN2O4/c1-15(2)20-13-8-16(3)14-23(20)34-27(32)25-17(4)24-21(6-5-7-22(24)33-25)29-30-26(31)18-9-11-19(28)12-10-18/h8-15H,5-7H2,1-4H3,(H,30,31)/b29-21+