4-[[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate

Systemtic Name: 4-[[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate Openeye Name: 4-[[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate CAS Name: 4-[[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]methyl]benzoate IUPAC Name: 4-[[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate Traditional Name: 4-[[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate Formula: C18H13F3N3O3- MolecularWeight: 376.30933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H14F3N3O3/c1-27-12-6-7-13-14(8-12)23-17(18(19,20)21)24-15(13)22-9-10-2-4-11(5-3-10)16(25)26/h2-8H,9H2,1H3,(H,25,26)(H,22,23,24)/p-1