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

Systemtic Name: methyl 1-[[(4E)-4-(2,2-diphenylethanoylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4E)-4-[(2,2-diphenylacetyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(4E)-3-methyl-4-[(1-oxo-2,2-diphenylethyl)hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4E)-4-[(2,2-diphenylacetyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(4E)-4-[(2,2-diphenylacetyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]isonipecotic acid methyl ester Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC2)C(=O)N5CCC(CC5)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)/CCC2)C(=O)N5CCC(CC5)C(=O)OC

InChI

InChI=1S/C31H33N3O5/c1-20-26-24(32-33-29(35)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22)14-9-15-25(26)39-28(20)30(36)34-18-16-23(17-19-34)31(37)38-2/h3-8,10-13,23,27H,9,14-19H2,1-2H3,(H,33,35)/b32-24+