ethyl 1-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperidine-3-carboxylate CAS Name: 1-[[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]amino]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperidine-3-carboxylate Traditional Name: 1-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]nipecotic acid ethyl ester Formula: C17H18ClF3N2O5 MolecularWeight: 422.78343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H18ClF3N2O5/c1-2-26-14(24)10-4-3-7-23(9-10)15(25)22-17(16(19,20)21)27-12-6-5-11(18)8-13(12)28-17/h5-6,8,10H,2-4,7,9H2,1H3,(H,22,25)