2,2,2-tris(fluoranyl)ethyl 4-[(4-acetamidophenyl)methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-[(4-acetamidophenyl)methylcarbamoyl]piperidine-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-[(4-acetamidophenyl)methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(4-acetamidophenyl)methylamino]-oxomethyl]-1-piperidinecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-[(4-acetamidophenyl)methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4-acetamidobenzyl)carbamoyl]piperidine-1-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C18H22F3N3O4 MolecularWeight: 401.38019

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F

InChI

InChI=1S/C18H22F3N3O4/c1-12(25)23-15-4-2-13(3-5-15)10-22-16(26)14-6-8-24(9-7-14)17(27)28-11-18(19,20)21/h2-5,14H,6-11H2,1H3,(H,22,26)(H,23,25)