methyl 1-[[(4E)-4-[(4-bromophenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[(4E)-4-[(4-bromophenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4E)-4-[(4-bromobenzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(4E)-4-[[(4-bromophenyl)-oxomethyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(4E)-4-[(4-bromobenzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]isonipecotic acid methyl ester Formula: C24H26BrN3O5 MolecularWeight: 516.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC=C(C=C3)Br)CCC2)C(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC=C(C=C3)Br)/CCC2)C(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C24H26BrN3O5/c1-14-20-18(26-27-22(29)15-6-8-17(25)9-7-15)4-3-5-19(20)33-21(14)23(30)28-12-10-16(11-13-28)24(31)32-2/h6-9,16H,3-5,10-13H2,1-2H3,(H,27,29)/b26-18+