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

Systemtic Name: methyl 1-[[(4E)-3-methyl-4-(2-phenoxyethanoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4E)-3-methyl-4-[(2-phenoxyacetyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(4E)-3-methyl-4-[(1-oxo-2-phenoxyethyl)hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4E)-3-methyl-4-[(2-phenoxyacetyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(4E)-3-methyl-4-[(2-phenoxyacetyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carbonyl]isonipecotic acid methyl ester Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)COC3=CC=CC=C3)CCC2)C(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)COC3=CC=CC=C3)/CCC2)C(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C25H29N3O6/c1-16-22-19(26-27-21(29)15-33-18-7-4-3-5-8-18)9-6-10-20(22)34-23(16)24(30)28-13-11-17(12-14-28)25(31)32-2/h3-5,7-8,17H,6,9-15H2,1-2H3,(H,27,29)/b26-19+