[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[2-furanyl(oxo)methyl]-4-piperidinecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-furoyl)isonipecotic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H18ClN3O5/c21-16-10-15(4-3-14(16)11-22)23-18(25)12-29-20(27)13-5-7-24(8-6-13)19(26)17-2-1-9-28-17/h1-4,9-10,13H,5-8,12H2,(H,23,25)