4-butyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one

Systemtic Name: 4-butyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one Openeye Name: 4-butyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one CAS Name: 4-butyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one IUPAC Name: 4-butyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one Traditional Name: 4-butyl-3-[[3-(trifluoromethyl)benzyl]amino]-2H-furan-5-one Formula: C16H18F3NO2 MolecularWeight: 313.31483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(COC1=O)NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCC1=C(COC1=O)NCC2=CC(=CC=C2)C(F)(F)F

InChI

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