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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[2-furanyl(oxo)methyl]-4-piperidinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-furoyl)isonipecotic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c22-10-7-15-3-5-17(6-4-15)23-19(25)14-29-21(27)16-8-11-24(12-9-16)20(26)18-2-1-13-28-18/h1-6,13,16H,7-9,11-12,14H2,(H,23,25)