[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C21H18Cl2N2O4 MolecularWeight: 433.28462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18Cl2N2O4/c22-14-5-6-15(16(23)11-14)18(26)12-28-20(27)13-7-9-25(10-8-13)21-24-17-3-1-2-4-19(17)29-21/h1-6,11,13H,7-10,12H2