[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-(4-ethanoylphenyl)furan-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-(4-ethanoylphenyl)furan-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 5-(4-acetylphenyl)furan-2-carboxylate CAS Name: 5-(4-acetylphenyl)-2-furancarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate Traditional Name: 5-(4-acetylphenyl)furan-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H22N2O5/c1-15(25)16-5-7-17(8-6-16)18-9-10-19(29-18)21(27)28-13-20(26)24-22(14-23)11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,24,26)