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

Systemtic Name: methyl 1-[[(4E)-3-methyl-4-[(3-methylphenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4E)-3-methyl-4-[(3-methylbenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(4E)-3-methyl-4-[[(3-methylphenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4E)-3-methyl-4-[(3-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(4E)-3-methyl-4-(m-toluoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]isonipecotic acid methyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NN=C2CCCC3=C2C(=C(O3)C(=O)N4CCC(CC4)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N/N=C/2\CCCC3=C2C(=C(O3)C(=O)N4CCC(CC4)C(=O)OC)C

InChI

InChI=1S/C25H29N3O5/c1-15-6-4-7-18(14-15)23(29)27-26-19-8-5-9-20-21(19)16(2)22(33-20)24(30)28-12-10-17(11-13-28)25(31)32-3/h4,6-7,14,17H,5,8-13H2,1-3H3,(H,27,29)/b26-19+