[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[2-furanyl(oxo)methyl]-4-piperidinecarboxylic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-furoyl)isonipecotic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CO3)C

InChI

InChI=1S/C22H25N3O6/c1-14-5-6-17(15(2)12-14)23-22(29)24-19(26)13-31-21(28)16-7-9-25(10-8-16)20(27)18-4-3-11-30-18/h3-6,11-12,16H,7-10,13H2,1-2H3,(H2,23,24,26,29)