(2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate

Systemtic Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate Openeye Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]pentanoate CAS Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]pentanoate IUPAC Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate Traditional Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]valerate Formula: C16H18F3N3O4 MolecularWeight: 373.32703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])[NH2+]C1=NC(=NC2=CC(=C(C=C21)OC)OC)C(F)(F)F

Isomeric SMILES

CCC[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=CC(=C(C=C21)OC)OC)C(F)(F)F

InChI

InChI=1S/C16H18F3N3O4/c1-4-5-9(14(23)24)20-13-8-6-11(25-2)12(26-3)7-10(8)21-15(22-13)16(17,18)19/h6-7,9H,4-5H2,1-3H3,(H,23,24)(H,20,21,22)/t9-/m0/s1