2-[[4-[[4-oxidanylidene-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[4-oxidanylidene-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-[[4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[4-keto-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C25H21F3N4O6 MolecularWeight: 530.45265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H21F3N4O6/c1-2-11-32(13-14-3-8-18-17(12-14)22(36)31-24(30-18)25(26,27)28)16-6-4-15(5-7-16)21(35)29-19(23(37)38)9-10-20(33)34/h1,3-8,12,19H,9-11,13H2,(H,29,35)(H,33,34)(H,37,38)(H,30,31,36)