dodecyl 4-chloranyl-3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]benzoate Openeye Name: dodecyl 4-chloro-3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]benzoate CAS Name: 4-chloro-3-[[oxo-[[2-(trifluoromethyl)-4-quinazolinyl]hydrazo]methyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]benzoate Traditional Name: 4-chloro-3-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamoylamino]benzoic acid lauryl ester Formula: C29H35ClF3N5O3 MolecularWeight: 594.06811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C29H35ClF3N5O3/c1-2-3-4-5-6-7-8-9-10-13-18-41-26(39)20-16-17-22(30)24(19-20)35-28(40)38-37-25-21-14-11-12-15-23(21)34-27(36-25)29(31,32)33/h11-12,14-17,19H,2-10,13,18H2,1H3,(H,34,36,37)(H2,35,38,40)