[2-oxidanylidene-2-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] (E)-but-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] (E)-but-2-enoate Openeye Name: [2-oxo-2-[2-(1-piperidyl)-5-(trifluoromethyl)anilino]ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-oxo-2-[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-keto-2-[2-piperidino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C18H21F3N2O3 MolecularWeight: 370.36615

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCCC2

Isomeric SMILES

C/C=C/C(=O)OCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCCC2

InChI

InChI=1S/C18H21F3N2O3/c1-2-6-17(25)26-12-16(24)22-14-11-13(18(19,20)21)7-8-15(14)23-9-4-3-5-10-23/h2,6-8,11H,3-5,9-10,12H2,1H3,(H,22,24)/b6-2+