2-butyl-4-oxidanyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one

Systemtic Name: 2-butyl-4-oxidanyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one Openeye Name: 2-butyl-4-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one CAS Name: 2-butyl-4-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]-1-cyclobut-2-enone IUPAC Name: 2-butyl-4-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one Traditional Name: 2-butyl-4-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]cyclobut-2-en-1-one Formula: C16H18F3NO2 MolecularWeight: 313.31483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C1=O)O)NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCC1=C(C(C1=O)O)NCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H18F3NO2/c1-2-3-7-12-13(15(22)14(12)21)20-9-10-5-4-6-11(8-10)16(17,18)19/h4-6,8,15,20,22H,2-3,7,9H2,1H3