(2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propanoate Openeye Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propionate Formula: C20H17F3N3O4- MolecularWeight: 420.36189

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC(CC3=CC=CC=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N[C@H](CC3=CC=CC=C3)C(=O)[O-])OC

InChI

InChI=1S/C20H18F3N3O4/c1-29-15-9-12-13(10-16(15)30-2)25-19(20(21,22)23)26-17(12)24-14(18(27)28)8-11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,27,28)(H,24,25,26)/p-1/t14-/m1/s1