6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoate

Systemtic Name: 6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoate Openeye Name: 6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoate CAS Name: 6-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]hexanoate IUPAC Name: 6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoate Traditional Name: 6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoate Formula: C16H17F3N3O3- MolecularWeight: 356.31969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCCCCCC(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCCCCCC(=O)[O-]

InChI

InChI=1S/C16H18F3N3O3/c1-25-10-6-7-11-12(9-10)21-15(16(17,18)19)22-14(11)20-8-4-2-3-5-13(23)24/h6-7,9H,2-5,8H2,1H3,(H,23,24)(H,20,21,22)/p-1