3-(3-methylphenoxy)propyl 3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]propanoate

Systemtic Name: 3-(3-methylphenoxy)propyl 3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]propanoate Openeye Name: 3-(3-methylphenoxy)propyl 3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]propanoate CAS Name: 3-[[oxo-[[2-(trifluoromethyl)-4-quinazolinyl]hydrazo]methyl]amino]propanoic acid 3-(3-methylphenoxy)propyl ester IUPAC Name: 3-(3-methylphenoxy)propyl 3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]propanoate Traditional Name: 3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]propionic acid 3-(3-methylphenoxy)propyl ester Formula: C23H24F3N5O4 MolecularWeight: 491.46297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCOC(=O)CCNC(=O)NNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OCCCOC(=O)CCNC(=O)NNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C23H24F3N5O4/c1-15-6-4-7-16(14-15)34-12-5-13-35-19(32)10-11-27-22(33)31-30-20-17-8-2-3-9-18(17)28-21(29-20)23(24,25)26/h2-4,6-9,14H,5,10-13H2,1H3,(H2,27,31,33)(H,28,29,30)