[2-[5-(acetamidomethyl)furan-2-yl]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[5-(acetamidomethyl)furan-2-yl]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-furyl]-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[5-(acetamidomethyl)-2-furanyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-[5-(acetamidomethyl)-2-furyl]-2-keto-ethyl] ester Formula: C22H23ClN2O6 MolecularWeight: 446.88082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(O1)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NCC1=CC=C(O1)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O6/c1-14(26)24-12-18-6-7-20(31-18)19(27)13-30-22(29)16-8-10-25(11-9-16)21(28)15-2-4-17(23)5-3-15/h2-7,16H,8-13H2,1H3,(H,24,26)